N-(3,5-dimethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]acetamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C22H21N5O4S/c1-13-4-6-15(7-5-13)27-20-19(21(29)24-12-23-20)26-22(27)32-11-18(28)25-14-8-16(30-2)10-17(9-14)31-3/h4-10,12H,11H2,1-3H3,(H,25,28)(H,23,24,29)