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

Systemtic Name: 2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S2/c1-13-6-8-15(9-7-13)26-19-18(20(28)23-12-22-19)25-21(26)30-11-17(27)24-14-4-3-5-16(10-14)29-2/h3-10,12H,11H2,1-2H3,(H,24,27)(H,22,23,28)