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

Systemtic Name: 1-[9-(decylamino)-8-oxidanyl-nonyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[9-(decylamino)-8-hydroxy-nonyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[9-(decylamino)-8-hydroxynonyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[9-(decylamino)-8-hydroxynonyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[9-(decylamino)-8-hydroxy-nonyl]-3,7-dimethyl-xanthine Formula: C26H47N5O3 MolecularWeight: 477.68308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N5O3/c1-4-5-6-7-8-9-12-15-18-27-20-22(32)17-14-11-10-13-16-19-31-25(33)23-24(28-21-29(23)2)30(3)26(31)34/h21-22,27,32H,4-20H2,1-3H3