3-(4-fluorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]quinazolin-4-one Formula: C21H15FN6OS MolecularWeight: 418.446803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C21H15FN6OS/c1-27-19-16(10-25-27)20(24-12-23-19)30-11-18-26-17-5-3-2-4-15(17)21(29)28(18)14-8-6-13(22)7-9-14/h2-10,12H,11H2,1H3