N-(3,4-dimethoxyphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]propanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]propanamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(6-keto-3,7-dihydropurin-2-yl)thio]propionamide Formula: C16H17N5O4S MolecularWeight: 375.40228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C16H17N5O4S/c1-8(26-16-20-13-12(15(23)21-16)17-7-18-13)14(22)19-9-4-5-10(24-2)11(6-9)25-3/h4-8H,1-3H3,(H,19,22)(H2,17,18,20,21,23)