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

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H14N6OS MolecularWeight: 386.42976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C20H14N6OS/c27-19-14-8-4-5-9-16(14)24-17(25-19)11-28-20-15-10-23-26(18(15)21-12-22-20)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,24,25,27)