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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-isopropylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H30N6O2/c1-17(2)20-8-10-21(11-9-20)28-24-23(31(32)33)25(27-16-26-24)30-14-12-29(13-15-30)22-7-5-6-18(3)19(22)4/h5-11,16-17H,12-15H2,1-4H3,(H,26,27,28)