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

Systemtic Name: 3-hexyl-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]quinazolin-4-one Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2S/c1-2-3-4-10-15-31-25(34)19-13-8-9-14-21(19)28-26(31)35-17-22-29-23-20(24(33)30-22)16-27-32(23)18-11-6-5-7-12-18/h5-9,11-14,16,27H,2-4,10,15,17H2,1H3