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

Systemtic Name: methyl 4-[2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C21H20N4O4S/c1-13-4-3-5-16(10-13)25-17(22)11-18(26)24-21(25)30-12-19(27)23-15-8-6-14(7-9-15)20(28)29-2/h3-11H,12,22H2,1-2H3,(H,23,27)