6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(6-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N7O2/c1-15-6-4-8-18(17(15)3)27-10-12-28(13-11-27)22-20(29(30)31)21(23-14-24-22)26-19-9-5-7-16(2)25-19/h4-9,14H,10-13H2,1-3H3,(H,23,24,25,26)