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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)Cl)OC

InChI

InChI=1S/C17H20ClN5O4/c1-26-13-9-14(27-2)12(8-11(13)18)21-16-15(23(24)25)17(20-10-19-16)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21)