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

Systemtic Name: 3-[(7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Openeye Name: 3-[(7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol CAS Name: 3-[(7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol IUPAC Name: 3-[(7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Traditional Name: 3-[(7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3/c1-29-19-10-7-15(12-20(19)30-2)18-13-17(14-5-8-16(23)9-6-14)24-22-25-21(4-3-11-28)26-27(18)22/h5-10,12-13,18,28H,3-4,11H2,1-2H3,(H,24,25,26)/t18-/m0/s1