methyl (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: methyl (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-7-(2-butoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(=C(N=C3N2NC=N3)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C(=C(N=C3N2NC=N3)C)C(=O)OC

InChI

InChI=1S/C18H22N4O3/c1-4-5-10-25-14-9-7-6-8-13(14)16-15(17(23)24-3)12(2)21-18-19-11-20-22(16)18/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,20,21)/t16-/m0/s1