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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

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