7-butyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-(2-morpholinoethylsulfanyl)purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[2-(4-morpholinyl)ethylthio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-(2-morpholinoethylthio)xanthine Formula: C17H27N5O3S MolecularWeight: 381.49298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H27N5O3S/c1-4-5-6-22-13-14(19(2)17(24)20(3)15(13)23)18-16(22)26-12-9-21-7-10-25-11-8-21/h4-12H2,1-3H3