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

Systemtic Name: 5-(3-methoxyphenyl)-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(3-methoxyphenyl)-N-[[(3R)-1-pyrimidin-2-yl-3-piperidyl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(3-methoxyphenyl)-N-[[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3-methoxyphenyl)-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methyl]amine Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=NC(=N2)NCC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=NC(=N2)NC[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O/c1-28-17-7-2-6-16(11-17)18-13-24-26-19(25-18)23-12-15-5-3-10-27(14-15)20-21-8-4-9-22-20/h2,4,6-9,11,13,15H,3,5,10,12,14H2,1H3,(H,23,25,26)/t15-/m1/s1