8-[8-(4-ethanoylpiperazin-1-yl)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[8-(4-ethanoylpiperazin-1-yl)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[8-(4-acetylpiperazin-1-yl)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[8-(4-acetyl-1-piperazinyl)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[8-(4-acetylpiperazin-1-yl)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[8-(4-acetylpiperazino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-xanthine Formula: C24H36N6O4 MolecularWeight: 472.58044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CCCCC(C)(C#CCN3CCN(CC3)C(=O)C)O

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CCCCC(C)(C#CCN3CCN(CC3)C(=O)C)O

InChI

InChI=1S/C24H36N6O4/c1-5-12-30-19(25-21-20(30)22(32)26-23(33)27(21)4)9-6-7-10-24(3,34)11-8-13-28-14-16-29(17-15-28)18(2)31/h34H,5-7,9-10,12-17H2,1-4H3,(H,26,32,33)