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

Systemtic Name: propyl 7-(4-butoxy-3-methoxy-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCCC)OC

InChI

InChI=1S/C21H28N4O4/c1-5-7-11-28-16-9-8-15(12-17(16)27-4)19-18(20(26)29-10-6-2)14(3)24-21-22-13-23-25(19)21/h8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,22,23,24)