N-(3,5-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3,5-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3,5-dimethylphenyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N6O2/c1-16-12-17(2)14-18(13-16)25-21-20(28(29)30)22(24-15-23-21)27-10-8-26(9-11-27)19-6-4-3-5-7-19/h3-7,12-15H,8-11H2,1-2H3,(H,23,24,25)