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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C)CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

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