N6-butyl-N4-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H18ClN5O2 MolecularWeight: 335.78872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClN5O2/c1-2-3-8-17-14-13(21(22)23)15(20-10-19-14)18-9-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H2,17,18,19,20)