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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

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