8-(10-azanyldecylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-(10-azanyldecylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(10-aminodecylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(10-aminodecylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(10-aminodecylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(10-aminodecylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C23H42N6O3 MolecularWeight: 450.61798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCCCCCCCCCN)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCCCCCCCCCN)N(C1=O)C)O

InChI

InChI=1S/C23H42N6O3/c1-18(30)14-10-13-17-29-21(31)19-20(28(3)23(29)32)26-22(27(19)2)25-16-12-9-7-5-4-6-8-11-15-24/h18,30H,4-17,24H2,1-3H3,(H,25,26)