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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCCO)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCCO)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H18N4O3S/c1-10-3-5-11(6-4-10)9-20-12-13(17-16(20)24-8-7-21)19(2)15(23)18-14(12)22/h3-6,21H,7-9H2,1-2H3,(H,18,22,23)