6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-16-5-7-17(8-6-16)14-24-21-20(29(30)31)22(26-15-25-21)28-11-9-27(10-12-28)19-4-2-3-18(23)13-19/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,26)