N2-(3,4-dichlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dichlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dichlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dichlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl-dimethyl-amine Formula: C15H18Cl2N6O2 MolecularWeight: 385.24842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CN(C)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H18Cl2N6O2/c1-22(2)7-3-6-18-14-13(23(24)25)9-19-15(21-14)20-10-4-5-11(16)12(17)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,20,21)