N-(2,3-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2,3-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2,3-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2,3-dimethylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2,3-dimethylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2,3-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=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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