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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

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