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

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

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