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

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

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C

InChI

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