3-methyl-8-pentan-3-ylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-pentan-3-ylsulfanyl-7H-purine-2,6-dione Openeye Name: 8-(1-ethylpropylsulfanyl)-3-methyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-(pentan-3-ylthio)-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-pentan-3-ylsulfanyl-7H-purine-2,6-dione Traditional Name: 8-(1-ethylpropylthio)-3-methyl-7H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H16N4O2S/c1-4-6(5-2)18-10-12-7-8(13-10)15(3)11(17)14-9(7)16/h6H,4-5H2,1-3H3,(H,12,13)(H,14,16,17)