4-[[4-(5-methyl-2-nitro-phenoxy)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

Systemtic Name: 4-[[4-(5-methyl-2-nitro-phenoxy)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine Openeye Name: 4-[[4-(5-methyl-2-nitro-phenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine CAS Name: 4-[[4-(5-methyl-2-nitrophenoxy)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholine IUPAC Name: 4-[[4-(5-methyl-2-nitrophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine Traditional Name: 4-[[4-(5-methyl-2-nitro-phenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine Formula: C22H20N4O4S2 MolecularWeight: 468.5486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C22H20N4O4S2/c1-14-4-5-16(26(27)28)17(11-14)30-21-20-15(18-3-2-10-31-18)13-32-22(20)24-19(23-21)12-25-6-8-29-9-7-25/h2-5,10-11,13H,6-9,12H2,1H3