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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C21H30N8O2 MolecularWeight: 426.5153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H30N8O2/c1-16-5-4-6-18(17(16)2)26-9-11-27(12-10-26)21-19(29(30)31)20(22-15-23-21)24-28-13-7-25(3)8-14-28/h4-6,15H,7-14H2,1-3H3,(H,22,23,24)