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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(benzylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O2S/c1-12(2)10-22-14-15(20(3)18(24)21(4)16(14)23)19-17(22)25-11-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3