6-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H18N4O3S/c1-2-14-8-9-17-15(11-20(28)30-19(17)10-14)13-31-23-25-21-18(22(29)26-23)12-24-27(21)16-6-4-3-5-7-16/h3-12,24H,2,13H2,1H3