3-(2-chlorophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]quinazolin-4-one Formula: C20H13ClN6OS MolecularWeight: 420.87482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5Cl

InChI

InChI=1S/C20H13ClN6OS/c21-14-6-2-4-8-16(14)27-17(25-15-7-3-1-5-12(15)20(27)28)10-29-19-13-9-24-26-18(13)22-11-23-19/h1-9,11H,10H2,(H,22,23,24,26)