3-methyl-8-(3-methylbutylsulfanyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-propylpurine-2,6-dione Traditional Name: 8-(isoamylthio)-3-methyl-7-propyl-xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O2S/c1-5-7-18-10-11(17(4)13(20)16-12(10)19)15-14(18)21-8-6-9(2)3/h9H,5-8H2,1-4H3,(H,16,19,20)