5-nitro-6-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: N-(4-isopropylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-p-cumenyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c1-17(2)18-8-10-19(11-9-18)26-22-21(29(30)31)23(25-16-24-22)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26)