7-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(5-morpholinosulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione CAS Name: 7-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(5-morpholinosulfonyl-2-propoxy-phenyl)-3-propyl-xanthine Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

InChI

InChI=1S/C21H27N5O6S/c1-3-7-25-19-18(20(27)23-21(25)28)26(14-22-19)16-13-15(5-6-17(16)32-10-4-2)33(29,30)24-8-11-31-12-9-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,23,27,28)