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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C15H14ClN5O3S MolecularWeight: 379.82136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)OC

InChI

InChI=1S/C15H14ClN5O3S/c1-23-9-4-3-8(5-10(9)24-2)19-11(22)6-25-14-12-13(18-7-17-12)20-15(16)21-14/h3-5,7H,6H2,1-2H3,(H,19,22)(H,17,18,20,21)