2-[2-[(1,3-dimethyl-2-oxidanylidene-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(1,3-dimethyl-2-oxidanylidene-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(1,3-dimethyl-2-oxo-6-thioxo-7H-purin-8-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-keto-1,3-dimethyl-6-thioxo-7H-purin-8-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H15N5O3S2/c1-20-12-11(15(26)21(2)17(20)25)18-16(19-12)27-8-7-22-13(23)9-5-3-4-6-10(9)14(22)24/h3-6H,7-8H2,1-2H3,(H,18,19)