8-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 8-(5-morpholinosulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione CAS Name: 8-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 8-(5-morpholinosulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-quinone Formula: C21H27N5O6S MolecularWeight: 477.53398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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