N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C24H26ClN5O4 MolecularWeight: 483.94734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C24H26ClN5O4/c1-33-20-14-21(34-2)19(13-18(20)25)28-23-22(30(31)32)24(27-15-26-23)29-10-8-17(9-11-29)12-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12H2,1-2H3,(H,26,27,28)