7-(2-ethoxyethyl)-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

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