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

Systemtic Name: methyl 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-22(2,3)19-24-20(26-25-19)31-12-15-16(18(28)30-4)17(13-8-6-5-7-9-13)23-21(29)27(15)14-10-11-14/h5-9,14,17H,10-12H2,1-4H3,(H,23,29)(H,24,25,26)