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

Systemtic Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl-dimethyl-amine Formula: C15H19ClN6O2 MolecularWeight: 350.80336

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN6O2/c1-21(2)9-3-8-17-14-13(22(23)24)10-18-15(20-14)19-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)