3,7-dimethyl-1-(7-oxidanylnonyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(7-oxidanylnonyl)purine-2,6-dione Openeye Name: 1-(7-hydroxynonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(7-hydroxynonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(7-hydroxynonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(7-hydroxynonyl)-3,7-dimethyl-xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C16H26N4O3/c1-4-12(21)9-7-5-6-8-10-20-15(22)13-14(17-11-18(13)2)19(3)16(20)23/h11-12,21H,4-10H2,1-3H3