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

Systemtic Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyl]isoindoline-1,3-quinone Formula: C23H19N5O2S MolecularWeight: 429.49426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H19N5O2S/c29-22-17-10-4-5-11-18(17)23(30)27(22)12-6-7-13-31-21-19-14-26-28(20(19)24-15-25-21)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2