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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

InChI

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