5-(2-methylphenyl)-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(2-methylphenyl)-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(o-tolyl)-N-[[(3R)-1-pyrimidin-2-yl-3-piperidyl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2-methylphenyl)-N-[[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2-methylphenyl)-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(o-tolyl)-1,2,4-triazin-3-yl]-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methyl]amine Formula: C20H23N7 MolecularWeight: 361.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)NCC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)NC[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7/c1-15-6-2-3-8-17(15)18-13-24-26-19(25-18)23-12-16-7-4-11-27(14-16)20-21-9-5-10-22-20/h2-3,5-6,8-10,13,16H,4,7,11-12,14H2,1H3,(H,23,25,26)/t16-/m1/s1