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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H18N4O3S/c1-8(2)6-18-10-11(15-13(18)22-7-9(3)19)16(4)14(21)17(5)12(10)20/h1,6-7H2,2-5H3