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

Systemtic Name: ethyl 4-[2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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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=C(C=C3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O4S/c1-2-30-20(29)13-3-7-15(8-4-13)24-19(28)12-31-21-25-18(27)11-17(23)26(21)16-9-5-14(22)6-10-16/h3-11H,2,12,23H2,1H3,(H,24,28)