8-butan-2-ylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-butan-2-ylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(sec-butylthio)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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