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

Systemtic Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(dimethylamino)propyl]-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[3-(dimethylamino)propyl]-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[3-(dimethylamino)propyl]-methyl-amine Formula: C16H21ClN6O2 MolecularWeight: 364.82994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN6O2/c1-21(2)9-4-10-22(3)15-14(23(24)25)11-18-16(20-15)19-13-7-5-12(17)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,20)