methyl 1-(4-methyl-6-phenyl-pyrimidin-2-yl)-5-pentyl-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(4-methyl-6-phenyl-pyrimidin-2-yl)-5-pentyl-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-methyl-6-phenyl-pyrimidin-2-yl)-5-pentyl-triazole-4-carboxylate CAS Name: 1-(4-methyl-6-phenyl-2-pyrimidinyl)-5-pentyl-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-6-phenylpyrimidin-2-yl)-5-pentyltriazole-4-carboxylate Traditional Name: 5-amyl-1-(4-methyl-6-phenyl-pyrimidin-2-yl)triazole-4-carboxylic acid methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=NN1C2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(N=NN1C2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23N5O2/c1-4-5-7-12-17-18(19(26)27-3)23-24-25(17)20-21-14(2)13-16(22-20)15-10-8-6-9-11-15/h6,8-11,13H,4-5,7,12H2,1-3H3