3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1S[C@H](C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O3S/c1-5-6-7-8-19-11-12(18(4)14(22)17-13(11)21)16-15(19)23-10(3)9(2)20/h10H,5-8H2,1-4H3,(H,17,21,22)/t10-/m1/s1