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

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C17H25N7O2 MolecularWeight: 359.4261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN(C)C)C

InChI

InChI=1S/C17H25N7O2/c1-11-6-7-13(10-12(11)2)20-16-14(24(25)26)15(18)21-17(22-16)19-8-5-9-23(3)4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)