8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-(1-methylpentylsulfanyl)-6-thioxo-7H-purin-2-one CAS Name: 8-(hexan-2-ylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-(1-methylpentylthio)-6-thioxo-7H-purin-2-one Formula: C13H20N4OS2 MolecularWeight: 312.4541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

Isomeric SMILES

CCCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4OS2/c1-5-6-7-8(2)20-12-14-9-10(15-12)16(3)13(18)17(4)11(9)19/h8H,5-7H2,1-4H3,(H,14,15)