7-butyl-3-methyl-8-sulfanyl-8,9-dihydropurine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-sulfanyl-8,9-dihydropurine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-sulfanyl-8,9-dihydropurine-2,6-dione CAS Name: 7-butyl-8-mercapto-3-methyl-8,9-dihydropurine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-sulfanyl-8,9-dihydropurine-2,6-dione Traditional Name: 7-butyl-8-mercapto-3-methyl-8,9-dihydropurine-2,6-quinone Formula: C10H16N4O2S MolecularWeight: 256.32464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(NC2=C1C(=O)NC(=O)N2C)S

Isomeric SMILES

CCCCN1C(NC2=C1C(=O)NC(=O)N2C)S

InChI

InChI=1S/C10H16N4O2S/c1-3-4-5-14-6-7(11-10(14)17)13(2)9(16)12-8(6)15/h10-11,17H,3-5H2,1-2H3,(H,12,15,16)