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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(2,3-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O2/c1-15-5-3-8-19(16(15)2)26-21-20(29(30)31)22(25-14-24-21)28-11-9-27(10-12-28)18-7-4-6-17(23)13-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)