6-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2/c1-3-22-8-10-23(11-9-22)18-16(24(25)26)17(20-13-21-18)19-12-15-6-4-14(2)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,19,20,21)