N2-(3-methoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O3/c1-32-19-9-5-8-18(15-19)25-23-26-21(24)20(29(30)31)22(27-23)28-12-10-17(11-13-28)14-16-6-3-2-4-7-16/h2-9,15,17H,10-14H2,1H3,(H3,24,25,26,27)