methyl 2-[3-cyclopropyl-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(5-methylisoxazol-3-yl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3-cyclopropyl-4-methyl-5-[[(5-methyl-3-isoxazolyl)amino]-oxomethyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3-cyclopropyl-4-methyl-5-[(5-methylisoxazol-3-yl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=C(N(C(=S)NC2C3=CC=CC=C3C(=O)OC)C4CC4)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=C(N(C(=S)NC2C3=CC=CC=C3C(=O)OC)C4CC4)C

InChI

InChI=1S/C21H22N4O4S/c1-11-10-16(24-29-11)22-19(26)17-12(2)25(13-8-9-13)21(30)23-18(17)14-6-4-5-7-15(14)20(27)28-3/h4-7,10,13,18H,8-9H2,1-3H3,(H,23,30)(H,22,24,26)