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

Systemtic Name: 6-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C25H22N4O3S/c1-14(2)18-11-19-16(10-22(30)32-21(19)9-15(18)3)13-33-25-27-23-20(24(31)28-25)12-26-29(23)17-7-5-4-6-8-17/h4-12,14,26H,13H2,1-3H3