methyl 4-(1H-indol-3-ylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(1H-indol-3-ylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(1H-indol-3-ylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate CAS Name: 4-(1H-indol-3-ylthio)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(1H-indol-3-ylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1H-indol-3-ylthio)-6-keto-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(NC1=O)C2=CC=CC=C2)SC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(N=C(NC1=O)C2=CC=CC=C2)SC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H15N3O3S/c1-26-20(25)16-18(24)22-17(12-7-3-2-4-8-12)23-19(16)27-15-11-21-14-10-6-5-9-13(14)15/h2-11,21H,1H3,(H,22,23,24)