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

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-ethylsulfanyl-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(ethylthio)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18N4O2S/c1-4-23-16-17-13-12(14(21)18-15(22)19(13)3)20(16)9-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,21,22)