N-(3-chloranyl-4-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H14ClN5OS/c1-8-3-4-10(5-11(8)16)21-14(22)9(2)23-15-12-13(18-6-17-12)19-7-20-15/h3-7,9H,1-2H3,(H,21,22)(H,17,18,19,20)