3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

Systemtic Name: 3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Openeye Name: 3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol CAS Name: 3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol IUPAC Name: 3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Traditional Name: 3-[(7S)-5-(4-bromophenyl)-7-(3-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C=C(N=C3N2NC(=N3)CCCO)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2C=C(N=C3N2NC(=N3)CCCO)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O2/c1-28-17-5-2-4-15(12-17)19-13-18(14-7-9-16(22)10-8-14)23-21-24-20(6-3-11-27)25-26(19)21/h2,4-5,7-10,12-13,19,27H,3,6,11H2,1H3,(H,23,24,25)/t19-/m0/s1