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

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

Systemtic Name:3,7-dimethyl-1-[9-(2-oxidanyldecylamino)nonyl]purine-2,6-dione
Openeye Name:1-[9-(2-hydroxydecylamino)nonyl]-3,7-dimethyl-purine-2,6-dione
CAS Name:1-[9-(2-hydroxydecylamino)nonyl]-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-[9-(2-hydroxydecylamino)nonyl]-3,7-dimethylpurine-2,6-dione
Traditional Name:1-[9-(2-hydroxydecylamino)nonyl]-3,7-dimethyl-xanthine
Formula: C26H47N5O3
MolecularWeight: 477.68308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CNCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O


Isomeric SMILES

CCCCCCCCC(CNCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O


InChI

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


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