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

Systemtic Name: N-(2,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dimethylphenyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,4-dimethylphenyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-12-4-5-14(13(2)10-12)20-16-15(23(24)25)17(19-11-18-16)22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)