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

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[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)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H22N6O2/c1-13-3-5-14(6-4-13)11-18-16-15(23(24)25)17(20-12-19-16)22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,18,19,20)