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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3S/c1-24-10-4-3-9(7-11(10)25-2)20-12(23)5-6-26-15-13-14(19-8-18-13)21-16(17)22-15/h3-4,7-8H,5-6H2,1-2H3,(H,20,23)(H,18,19,21,22)