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

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C24H18N2O4S2 MolecularWeight: 462.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C24H18N2O4S2/c27-17-6-7-18-16(12-21(28)30-20(18)13-17)14-32-24-25-19-9-11-31-22(19)23(29)26(24)10-8-15-4-2-1-3-5-15/h1-7,9,11-13,27H,8,10,14H2