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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-methylallylsulfanyl)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-methylallylthio)-7-(3-methylbenzyl)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=C)C)N(C(=O)N(C3=O)C)C

InChI

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