(3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [1-(2-methoxyphenyl)pyrazol-4-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)CNC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)CN[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O/c1-27-19-8-3-2-7-18(19)26-14-16(13-24-26)12-23-17-6-4-11-25(15-17)20-21-9-5-10-22-20/h2-3,5,7-10,13-14,17,23H,4,6,11-12,15H2,1H3/t17-/m0/s1