2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H14N2O4S2 MolecularWeight: 434.48756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O)SC=C3

InChI

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