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

Systemtic Name: methyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(5-amino-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-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H20N6O3S MolecularWeight: 400.4548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NNC(=N4)N

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NNC(=N4)N

InChI

InChI=1S/C18H20N6O3S/c1-27-15(25)13-12(9-28-17-21-16(19)22-23-17)24(11-7-8-11)18(26)20-14(13)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,20,26)(H3,19,21,22,23)