3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(m-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[(3-methylphenyl)methylthio]-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-[(3-methylbenzyl)thio]xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

InChI

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