4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-6,7-dihydroxy-coumarin Formula: C18H14N2O4S2 MolecularWeight: 386.44476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O)C

InChI

InChI=1S/C18H14N2O4S2/c1-8-9(2)26-18-16(8)17(19-7-20-18)25-6-10-3-15(23)24-14-5-13(22)12(21)4-11(10)14/h3-5,7,21-22H,6H2,1-2H3