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methyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate

methyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate structure

CAS No:
370587-18-1
Formula:
C19H22N4O4S
Chemical Name:
methyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate
Synonyms:
370587-18-1;SMR000012603;2-[3-Methyl-2,6-dioxo-7-(3-phenyl-propyl)-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester;methyl 2-((3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate;methyl 2-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}propanoate;Oprea1_812210;MLS000073605;MLS002537432;CHEMBL1564677;REGID_for_CID_645499;HMS2162H12;HMS3311F21;STK999630;STL047029;AKOS000723932;AKOS005700368;AKOS016051593;MCULE-1689412892;EU-0012203;AB00392702-05;AB00392702-10;SR-01000497437;SR-01000497437-1;BRD-A39864628-001-05-2;F1167-0120;methyl 2-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate;methyl 2-{[6-hydroxy-3-methyl-2-oxo-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoate

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methyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate Basic Attributes

Molecular Weight：

402.5 g/mol

Exact Mass：

402.13617637 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:402.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:402.13617637
Monoisotopic Mass:402.13617637
Topological Polar Surface Area:119
Heavy Atom Count:28
Complexity:599
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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