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

Systemtic Name: methyl 3-butyl-6-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)N3C=NC=N3)F)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)N3C=NC=N3)F)C(=O)OC)C

InChI

InChI=1S/C19H22FN5O3/c1-4-5-8-24-12(2)16(18(26)28-3)17(23-19(24)27)13-6-7-15(14(20)9-13)25-11-21-10-22-25/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,23,27)