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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCC3

InChI

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