N-(3-methylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-methylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(3-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methyl-2-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

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