(3S)-N-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: (2,4-dimethyl-6-pyrazol-1-yl-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CNC3CCCN(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN[C@H]3CCCN(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H26N6/c1-16-12-17(2)19(20(13-16)27-11-5-9-25-27)14-24-18-6-3-10-26(15-18)21-22-7-4-8-23-21/h4-5,7-9,11-13,18,24H,3,6,10,14-15H2,1-2H3/t18-/m0/s1