N2-(2,5-dimethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(2,5-dimethoxyphenyl)amine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H22N6O4/c1-26-11-6-7-13(27-2)12(10-11)19-17-20-15(18)14(23(24)25)16(21-17)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H3,18,19,20,21)