N4-(2,5-dimethoxyphenyl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C17H25N7O4 MolecularWeight: 391.4249

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)