3-methyl-8-methylsulfanyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-methylsulfanyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-methylsulfanyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(methylthio)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-methylsulfanyl-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(methylthio)-7H-purine-2,6-quinone Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)SC)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)SC)N(C1=O)C)O

InChI

InChI=1S/C13H20N4O3S/c1-8(18)6-4-5-7-17-11(19)9-10(16(2)13(17)20)15-12(14-9)21-3/h8,18H,4-7H2,1-3H3,(H,14,15)