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

Systemtic Name: 6,7-bis(oxidanyl)-4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dihydroxy-4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C22H14N2O4S2 MolecularWeight: 434.48756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C22H14N2O4S2/c25-16-7-14-13(6-19(27)28-18(14)8-17(16)26)9-29-21-20-15(12-4-2-1-3-5-12)10-30-22(20)24-11-23-21/h1-8,10-11,25-26H,9H2