7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(5-phenoxypentylsulfinyl)xanthine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1S(=O)CCCCCOC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1S(=O)CCCCCOC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N4O4S/c1-4-24-16-17(22(2)20(26)23(3)18(16)25)21-19(24)29(27)14-10-6-9-13-28-15-11-7-5-8-12-15/h5,7-8,11-12H,4,6,9-10,13-14H2,1-3H3