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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-homoveratryl-acetamide Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O3S/c1-25-11-4-3-10(7-12(11)26-2)5-6-19-13(24)8-27-16-14-15(21-9-20-14)22-17(18)23-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,21,22,23)