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

Systemtic Name: 8-methyl-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H16N6O2S/c1-12-6-5-9-14-17(12)23-16(24-19(14)28)11-30-21-25-18-15(20(29)26-21)10-22-27(18)13-7-3-2-4-8-13/h2-10,22H,11H2,1H3,(H,23,24,28)