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

Systemtic Name: ethyl 4-[2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C23H24N4O4S/c1-2-31-22(30)17-8-10-18(11-9-17)25-21(29)15-32-23-26-20(28)14-19(24)27(23)13-12-16-6-4-3-5-7-16/h3-11,14H,2,12-13,15,24H2,1H3,(H,25,29)