8-butan-2-ylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-butan-2-ylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(sec-butylthio)xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H22N4O2S/c1-7-10(4)22-14-16-12-11(19(14)8-9(2)3)13(20)18(6)15(21)17(12)5/h10H,2,7-8H2,1,3-6H3