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

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: 2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C20H17N5O2S2/c1-28-15-9-5-6-13(10-15)23-16(26)11-29-20-24-17-18(21-12-22-19(17)27)25(20)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,23,26)(H,21,22,27)