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

Systemtic Name: 3,7-dimethyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(propylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-(propylthio)xanthine Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C10H14N4O2S/c1-4-5-17-10-11-7-6(13(10)2)8(15)12-9(16)14(7)3/h4-5H2,1-3H3,(H,12,15,16)