2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C16H16ClN5O4S MolecularWeight: 409.84734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H16ClN5O4S/c1-24-9-4-8(5-10(25-2)13(9)26-3)20-11(23)6-27-15-12-14(19-7-18-12)21-16(17)22-15/h4-5,7H,6H2,1-3H3,(H,20,23)(H,18,19,21,22)