phenyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonic acid phenyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C16H16N2O4S2/c1-11-12(2)23-15-14(11)16(19)18(10-17-15)8-9-24(20,21)22-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3