N4-(2-morpholin-4-ylethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-morpholin-4-ylethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-morpholinoethyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[2-(4-morpholinyl)ethyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-morpholin-4-ylethyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C16H22N6O3S MolecularWeight: 378.44928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C16H22N6O3S/c23-22(24)14-15(17-4-3-13-2-1-11-26-13)19-12-20-16(14)18-5-6-21-7-9-25-10-8-21/h1-2,11-12H,3-10H2,(H2,17,18,19,20)