6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-ethyl-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H30N6O2/c1-5-30(21-10-6-8-18(2)16-21)25-23(31(32)33)24(26-17-27-25)29-14-12-28(13-15-29)22-11-7-9-19(3)20(22)4/h6-11,16-17H,5,12-15H2,1-4H3