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

Systemtic Name: N4-(2-chloroethyl)-N2-(3,4-dichlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(2-chloroethyl)-N2-(3,4-dichlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(2-chloroethyl)-N2-(3,4-dichlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(2-chloroethyl)-2-N-(3,4-dichlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2-chloroethyl-[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H10Cl3N5O2 MolecularWeight: 362.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Cl3N5O2/c13-3-4-16-11-10(20(21)22)6-17-12(19-11)18-7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H2,16,17,18,19)