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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O3S/c1-8(2)7-17-9-10(14-12(17)21-6-5-18)15(3)13(20)16(4)11(9)19/h18H,1,5-7H2,2-4H3