4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylmethoxypiperidin-1-yl]pyrimidine

Systemtic Name: 4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylmethoxypiperidin-1-yl]pyrimidine Openeye Name: 2-[(3S)-3-benzyloxy-1-piperidyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidine CAS Name: 4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylmethoxy-1-piperidinyl]pyrimidine IUPAC Name: 4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylmethoxypiperidin-1-yl]pyrimidine Traditional Name: 2-[(3S)-3-benzoxypiperidino]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidine Formula: C19H22N6O MolecularWeight: 350.41758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=NC(=NC=C2)N3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC=N1)C2=NC(=NC=C2)N3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C19H22N6O/c1-24-18(21-14-22-24)17-9-10-20-19(23-17)25-11-5-8-16(12-25)26-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3/t16-/m0/s1