N-(4-acetamidophenyl)-3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-3-[(2-chloro-7H-purin-6-yl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-3-[(2-chloro-7H-purin-6-yl)thio]propionamide Formula: C16H15ClN6O2S MolecularWeight: 390.8473

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H15ClN6O2S/c1-9(24)20-10-2-4-11(5-3-10)21-12(25)6-7-26-15-13-14(19-8-18-13)22-16(17)23-15/h2-5,8H,6-7H2,1H3,(H,20,24)(H,21,25)(H,18,19,22,23)