8-(2-ethoxyethylsulfanyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-ethoxyethylsulfanyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-ethoxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-ethoxyethylthio)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-ethoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-ethoxyethylthio)-1,3-dimethyl-xanthine Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22N4O3S/c1-4-25-10-11-26-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3