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

Systemtic Name: N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(p-tolyl)pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c1-12-3-5-13(6-4-12)19-15-14(22(23)24)16(18-11-17-15)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)