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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylbenzyl)thio]xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H20N4O3S/c1-11-4-6-12(7-5-11)10-25-17-18-14-13(21(17)8-9-24-3)15(22)19-16(23)20(14)2/h4-7H,8-10H2,1-3H3,(H,19,22,23)