methyl 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[6-nitro-4-(phenethylamino)-2-thieno[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-30-22(27)16-9-7-15(8-10-16)19-24-20(23-12-11-14-5-3-2-4-6-14)17-13-18(26(28)29)31-21(17)25-19/h2-10,13H,11-12H2,1H3,(H,23,24,25)