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

Systemtic Name: methyl 4-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C22H22N4O4S/c1-13-5-4-6-17(11-13)26-18(23)12-19(27)25-22(26)31-14(2)20(28)24-16-9-7-15(8-10-16)21(29)30-3/h4-12,14H,23H2,1-3H3,(H,24,28)