N4-(3-azanylpropyl)-N2-(3,4-dichlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-azanylpropyl)-N2-(3,4-dichlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(3-aminopropyl)-N2-(3,4-dichlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(3-aminopropyl)-N2-(3,4-dichlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(3-aminopropyl)-2-N-(3,4-dichlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 3-aminopropyl-[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H14Cl2N6O2 MolecularWeight: 357.19526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)NCCCN)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)NCCCN)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C13H14Cl2N6O2/c14-9-3-2-8(6-10(9)15)19-13-18-7-11(21(22)23)12(20-13)17-5-1-4-16/h2-3,6-7H,1,4-5,16H2,(H2,17,18,19,20)