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

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(5-isopropyl-1H-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-[[(5-propan-2-yl-1H-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-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-[[(5-isopropyl-1H-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)C1=NC(=NN1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

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