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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

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