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

Systemtic Name: 1,3-dimethyl-8-(2-methylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-isobutylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methylpropylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-methylpropylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(isobutylthio)-1,3-dimethyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H20N4O2S/c1-6-7-18-10-11(15-13(18)21-8-9(2)3)16(4)14(20)17(5)12(10)19/h6,9H,1,7-8H2,2-5H3