N2-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[6-amino-2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]propyl-dimethyl-amine Formula: C15H18Cl2N6O2 MolecularWeight: 385.24842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)Cl)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C15H18Cl2N6O2/c1-22(2)7-3-4-12-13(23(24)25)14(18)21-15(20-12)19-9-5-6-10(16)11(17)8-9/h5-6,8H,3-4,7H2,1-2H3,(H3,18,19,20,21)