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

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-3-30-21(29)15-9-11-16(12-10-15)24-20(28)14(2)31-22-25-19(27)13-18(23)26(22)17-7-5-4-6-8-17/h4-14H,3,23H2,1-2H3,(H,24,28)