1,7-bis[8-(diethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-purine-2,6-dione

Systemtic Name: 1,7-bis[8-(diethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methylpurine-2,6-dione Traditional Name: 1,7-bis[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-xanthine Formula: C32H52N6O4 MolecularWeight: 584.79308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN(CC)CC)O)O

Isomeric SMILES

CCN(CC)CC#CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN(CC)CC)O)O

InChI

InChI=1S/C32H52N6O4/c1-8-35(9-2)22-16-20-31(5,41)18-12-14-24-37-26-33-28-27(37)29(39)38(30(40)34(28)7)25-15-13-19-32(6,42)21-17-23-36(10-3)11-4/h26,41-42H,8-15,18-19,22-25H2,1-7H3