4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(2,6-dimethylphenyl)-1-piperazinyl]-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(2,6-dimethylphenyl)piperazino]-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O2/c1-16-5-4-6-17(2)18(16)25-11-13-27(14-12-25)21-19(28(29)30)20(22-15-23-21)26-9-7-24(3)8-10-26/h4-6,15H,7-14H2,1-3H3