3,7-dimethyl-1-[8-oxidanyl-9-[(phenylmethyl)amino]nonyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[8-oxidanyl-9-[(phenylmethyl)amino]nonyl]purine-2,6-dione Openeye Name: 1-[9-(benzylamino)-8-hydroxy-nonyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[8-hydroxy-9-[(phenylmethyl)amino]nonyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[9-(benzylamino)-8-hydroxynonyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[9-(benzylamino)-8-hydroxy-nonyl]-3,7-dimethyl-xanthine Formula: C23H33N5O3 MolecularWeight: 427.53982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC(CNCC3=CC=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC(CNCC3=CC=CC=C3)O

InChI

InChI=1S/C23H33N5O3/c1-26-17-25-21-20(26)22(30)28(23(31)27(21)2)14-10-5-3-4-9-13-19(29)16-24-15-18-11-7-6-8-12-18/h6-8,11-12,17,19,24,29H,3-5,9-10,13-16H2,1-2H3