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

Systemtic Name: methyl 3-cyclopropyl-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H25N5O3S/c1-16-27-28-25(29(16)18-11-7-4-8-12-18)34-15-20-21(23(31)33-2)22(17-9-5-3-6-10-17)26-24(32)30(20)19-13-14-19/h3-12,19,22H,13-15H2,1-2H3,(H,26,32)