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

Systemtic Name: propan-2-yl (7S)-7-(4-hexoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-5-6-7-8-13-28-18-11-9-17(10-12-18)20-19(21(27)29-15(2)3)16(4)25-22-23-14-24-26(20)22/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,23,24,25)/t20-/m0/s1