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

Systemtic Name: methyl (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H]2C(=C(N=C3N2NC=N3)C)C(=O)OC

InChI

InChI=1S/C20H26N4O3/c1-4-5-6-7-12-27-16-10-8-15(9-11-16)18-17(19(25)26-3)14(2)23-20-21-13-22-24(18)20/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,22,23)/t18-/m0/s1