1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-isopentylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylbutylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(isoamylthio)-1,3-dimethyl-xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H22N4O2S/c1-6-8-19-11-12(16-14(19)22-9-7-10(2)3)17(4)15(21)18(5)13(11)20/h6,10H,1,7-9H2,2-5H3