6-(3-methylpiperidin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(3-methyl-1-piperidyl)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(3-methyl-1-piperidinyl)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(3-methylpiperidin-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c1-17-8-7-13-26(14-17)21-20(28(29)30)22(25-16-24-21)27(19-11-5-6-12-23-19)15-18-9-3-2-4-10-18/h2-6,9-12,16-17H,7-8,13-15H2,1H3