methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-6-phenyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H25N5O3S/c1-13(2)25-12-22-24-21(25)30-11-16-17(19(27)29-3)18(14-7-5-4-6-8-14)23-20(28)26(16)15-9-10-15/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,28)