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

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O2/c1-11-6-4-7-12(10-11)19-15-13(23(24)25)14(17)20-16(21-15)18-8-5-9-22(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H4,17,18,19,20,21)