N4-(3-chlorophenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C22H23ClN6O2/c23-17-7-4-8-18(14-17)25-21-19(29(30)31)20(24)26-22(27-21)28-11-9-16(10-12-28)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H3,24,25,26,27)