(2S)-N-(2-ethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-o-phenetyl-2-(7H-purin-6-ylthio)propionamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H17N5O2S/c1-3-23-12-7-5-4-6-11(12)21-15(22)10(2)24-16-13-14(18-8-17-13)19-9-20-16/h4-10H,3H2,1-2H3,(H,21,22)(H,17,18,19,20)/t10-/m0/s1