3,7-dimethyl-1-[6-(octylamino)-5-oxidanyl-hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[6-(octylamino)-5-oxidanyl-hexyl]purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-(octylamino)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(octylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(octylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(octylamino)hexyl]-3,7-dimethyl-xanthine Formula: C21H37N5O3 MolecularWeight: 407.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C21H37N5O3/c1-4-5-6-7-8-10-13-22-15-17(27)12-9-11-14-26-20(28)18-19(23-16-24(18)2)25(3)21(26)29/h16-17,22,27H,4-15H2,1-3H3