2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H13N5O2S/c26-19-14-8-4-5-9-15(14)20(27)24(19)12-28-18-16-10-23-25(17(16)21-11-22-18)13-6-2-1-3-7-13/h1-11H,12H2