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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O4/c1-33-18-8-9-20(34-2)19(15-18)26-23-21(30(31)32)22(25)27-24(28-23)29-12-10-17(11-13-29)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H3,25,26,27,28)