N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=C(C=C4)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=C(C=C4)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN6O2/c24-19-8-6-18(7-9-19)15-26-23-27-21(25)20(30(31)32)22(28-23)29-12-10-17(11-13-29)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H3,25,26,27,28)