methyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O4S/c1-13(19(27)23-15-10-8-14(9-11-15)20(28)29-2)30-21-24-18(26)12-17(22)25(21)16-6-4-3-5-7-16/h3-13H,22H2,1-2H3,(H,23,27)