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

Systemtic Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C14H16ClN5O2 MolecularWeight: 321.76214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN5O2/c1-2-7-16-13-12(20(21)22)14(19-9-18-13)17-8-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18,19)