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

Systemtic Name: 3,7-dimethyl-1-[9-(octylamino)-8-oxidanyl-nonyl]purine-2,6-dione Openeye Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3,7-dimethyl-xanthine Formula: C24H43N5O3 MolecularWeight: 449.62992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCNCC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C24H43N5O3/c1-4-5-6-7-10-13-16-25-18-20(30)15-12-9-8-11-14-17-29-23(31)21-22(26-19-27(21)2)28(3)24(29)32/h19-20,25,30H,4-18H2,1-3H3