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

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-2-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-4-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-4-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H25N5O4S/c1-3-11-25-20(29)23-24-21(25)31-12-15-16(18(27)30-2)17(13-7-5-4-6-8-13)22-19(28)26(15)14-9-10-14/h4-8,14,17H,3,9-12H2,1-2H3,(H,22,28)(H,23,29)