5,6-dimethoxy-2-(7H-purin-6-ylsulfanyl)-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-(7H-purin-6-ylsulfanyl)-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-(7H-purin-6-ylsulfanyl)indan-1-one CAS Name: 5,6-dimethoxy-2-(7H-purin-6-ylthio)-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-(7H-purin-6-ylsulfanyl)-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-(7H-purin-6-ylthio)indan-1-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC=NC4=C3NC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC=NC4=C3NC=N4)OC

InChI

InChI=1S/C16H14N4O3S/c1-22-10-3-8-4-12(14(21)9(8)5-11(10)23-2)24-16-13-15(18-6-17-13)19-7-20-16/h3,5-7,12H,4H2,1-2H3,(H,17,18,19,20)