8-ethylsulfanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-ethylsulfanyl-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(ethylthio)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(ethylthio)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

Isomeric SMILES

CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

InChI

InChI=1S/C17H20N4O2S/c1-5-24-16-18-14-13(19(16)3)15(22)21(17(23)20(14)4)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3