methyl 2-[2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C21H17N5O4S/c1-30-20(29)14-9-5-6-10-15(14)24-16(27)11-31-21-25-17-18(22-12-23-19(17)28)26(21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,24,27)(H,22,23,28)