N4-[(4-chlorophenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-chlorophenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H18ClN5O3 MolecularWeight: 351.78812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClN5O3/c1-24-8-2-7-17-14-13(21(22)23)15(20-10-19-14)18-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19,20)