ethyl 4-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]propanoylamino]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)C(C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

InChI

InChI=1S/C23H24N4O4S/c1-4-31-22(30)16-8-10-17(11-9-16)25-21(29)15(3)32-23-26-20(28)13-19(24)27(23)18-7-5-6-14(2)12-18/h5-13,15H,4,24H2,1-3H3,(H,25,29)