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

Systemtic Name: N2-[(4-methylphenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-methylphenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O2/c1-17-7-9-20(10-8-17)16-26-24-27-22(25)21(30(31)32)23(28-24)29-13-11-19(12-14-29)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H3,25,26,27,28)