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2-[4-(7H-purin-6-ylsulfanyl)butyl]isoindole-1,3-dione

2-[4-(7H-purin-6-ylsulfanyl)butyl]isoindole-1,3-dione

Systemtic Name:2-[4-(7H-purin-6-ylsulfanyl)butyl]isoindole-1,3-dione
Openeye Name:2-[4-(7H-purin-6-ylsulfanyl)butyl]isoindoline-1,3-dione
CAS Name:2-[4-(7H-purin-6-ylthio)butyl]isoindole-1,3-dione
IUPAC Name:2-[4-(7H-purin-6-ylsulfanyl)butyl]isoindole-1,3-dione
Traditional Name:2-[4-(7H-purin-6-ylthio)butyl]isoindoline-1,3-quinone
Formula: C17H15N5O2S
MolecularWeight: 353.3983
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC=NC4=C3NC=N4


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC=NC4=C3NC=N4


InChI

InChI=1S/C17H15N5O2S/c23-16-11-5-1-2-6-12(11)17(24)22(16)7-3-4-8-25-15-13-14(19-9-18-13)20-10-21-15/h1-2,5-6,9-10H,3-4,7-8H2,(H,18,19,20,21)


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