(2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(4-butoxyphenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C18H21N5O2S/c1-3-4-9-25-14-7-5-13(6-8-14)23-17(24)12(2)26-18-15-16(20-10-19-15)21-11-22-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)(H,19,20,21,22)/t12-/m0/s1