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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]-1H-quinazolin-4-one Formula: C20H14N6O2S MolecularWeight: 402.42916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C20H14N6O2S/c27-18-13-8-4-5-9-15(13)22-20(25-18)29-11-16-23-17-14(19(28)24-16)10-21-26(17)12-6-2-1-3-7-12/h1-10,21H,11H2,(H,22,25,27)