(2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H17N5O3S/c1-9(25-16-13-14(18-7-17-13)19-8-20-16)15(22)21-11-6-10(23-2)4-5-12(11)24-3/h4-9H,1-3H3,(H,21,22)(H,17,18,19,20)/t9-/m0/s1