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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H14ClN5O2S/c1-23-10-4-2-9(3-5-10)19-11(22)6-7-24-14-12-13(18-8-17-12)20-15(16)21-14/h2-5,8H,6-7H2,1H3,(H,19,22)(H,17,18,20,21)