2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
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![2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7aa8d09b9f404a01a0beb6e9111dfb20.png "2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione")
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
structure -
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CAS No:
832686-75-6
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Formula:
C19H13ClN4O2S
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Chemical Name:
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
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Synonyms:
MLS000332007;SMR000221525;7-Benzylsulfanyl-3-(4-chloro-phenyl)-1H-pyrimido[4,5-d]pyrimidine-2,4-dione;7-(benzylsulfanyl)-3-(4-chlorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione;7-(benzylthio)-3-(4-chlorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione;CHEMBL1373843;BDBM43071;cid_1972542;HMS2621D22;STK210099;STK848709;ZINC16971458;2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;AKOS000613862;AKOS005628351;MCULE-6683543787;ST50160896;BRD-K54583001-001-07-9;2-(benzylthio)-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-quinone;3-(4-chlorophenyl)-7-(phenylmethylthio)-1,3-dihydropyrimidino[4,5-d]pyrimidine -2,4-dione;6-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;6-(4-chlorophenyl)-2-(phenylmethylthio)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione;7-(benzylsulfanyl)-3-(4-chlorophenyl)-2-hydroxypyrimido[4,5-d]pyrimidin-4(3H)-one;832686-75-6
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CAS No:
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Basic Attributes
396.9 g/mol
396.0447745 g/mol
Computed Properties
Molecular Weight:396.9
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:396.0447745
Monoisotopic Mass:396.0447745
Topological Polar Surface Area:101
Heavy Atom Count:27
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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