N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C17H16ClN5O2S MolecularWeight: 389.85924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN5O2S/c18-14-6-2-1-4-12(14)10-20-17-15(23(24)25)16(21-11-22-17)19-8-7-13-5-3-9-26-13/h1-6,9,11H,7-8,10H2,(H2,19,20,21,22)