N4-(2,5-dimethoxyphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O4/c1-28-13-4-5-15(29-2)14(10-13)23-18-16(25(26)27)17(21-11-22-18)20-6-3-8-24-9-7-19-12-24/h4-5,7,9-12H,3,6,8H2,1-2H3,(H2,20,21,22,23)