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

Systemtic Name: methyl 4-[2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O4S/c1-29-19(28)12-2-6-14(7-3-12)23-18(27)11-30-20-24-17(26)10-16(22)25(20)15-8-4-13(21)5-9-15/h2-10H,11,22H2,1H3,(H,23,27)