1,3-dimethyl-8-pentylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-pentylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-pentylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(pentylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-pentylsulfanyl-7H-purine-2,6-dione Traditional Name: 8-(amylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4O2S/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)