3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,5-dimethoxyphenyl)propionamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3S/c1-24-9-3-4-11(25-2)10(7-9)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)