ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S/c1-3-18(21(29)25-16-12-10-15(11-13-16)22(30)31-4-2)32-23-26-20(28)14-19(24)27(23)17-8-6-5-7-9-17/h5-14,18H,3-4,24H2,1-2H3,(H,25,29)