ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(diethylcarbamothioylsulfanylmethyl)pyrimidine-5-carboxylate
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ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(diethylcarbamothioylsulfanylmethyl)pyrimidine-5-carboxylate
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CAS No:
669718-83-6
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Formula:
C20H23N5O3S2
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Chemical Name:
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(diethylcarbamothioylsulfanylmethyl)pyrimidine-5-carboxylate
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Synonyms:
SMR000220751;MLS000331732;2-(Benzooxazol-2-ylamino)-4-diethylthiocarbamoylsulfanylmethyl-pyrimidine-5-carboxylic acid ethyl ester;ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(diethylcarbamothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate;CHEMBL1537810;BDBM49621;cid_1998020;HMS2554I12;ZINC9009893;STK167374;STK581517;AKOS003602655;AKOS005505185;MCULE-4975181503;ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(diethylcarbamothioylsulfanylmethyl)pyrimidine-5-carboxylate;2-(1,3-benzoxazol-2-ylamino)-4-[(diethylthiocarbamoylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester;2-(1,3-benzoxazol-2-ylamino)-4-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester;669718-83-6;ethyl 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4-{[(diethylcarbamothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
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CAS No:
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(diethylcarbamothioylsulfanylmethyl)pyrimidine-5-carboxylate Basic Attributes
445.6 g/mol
445.12423196 g/mol
Computed Properties
Molecular Weight:445.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:445.12423196
Monoisotopic Mass:445.12423196
Topological Polar Surface Area:151
Heavy Atom Count:30
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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