(phenylmethyl) 7-(4-butoxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 7-(4-butoxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 7-(4-butoxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(4-butoxy-3-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(4-butoxy-3-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(4-butoxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N4O4/c1-4-5-13-32-20-12-11-19(14-21(20)31-3)23-22(17(2)28-25-26-16-27-29(23)25)24(30)33-15-18-9-7-6-8-10-18/h6-12,14,16,23H,4-5,13,15H2,1-3H3,(H,26,27,28)