1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-(tetrahydrofuran-2-ylmethylsulfanyl)-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(2-oxolanylmethylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-(tetrahydrofurfurylthio)-6-thioxo-7H-purin-2-one Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3CCCO3

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3CCCO3

InChI

InChI=1S/C12H16N4O2S2/c1-15-9-8(10(19)16(2)12(15)17)13-11(14-9)20-6-7-4-3-5-18-7/h7H,3-6H2,1-2H3,(H,13,14)