methyl 3-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-28-19(27)13-6-5-7-14(10-13)22-18(26)12-29-20-23-17(25)11-16(21)24(20)15-8-3-2-4-9-15/h2-11H,12,21H2,1H3,(H,22,26)