1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(m-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(3-methylphenyl)methylthio]-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-[(3-methylbenzyl)thio]xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-12(2)10-23-15-16(21(4)19(25)22(5)17(15)24)20-18(23)26-11-14-8-6-7-13(3)9-14/h6-9H,1,10-11H2,2-5H3