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

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

Systemtic Name:3,7-dimethyl-1-[8-oxidanyl-9-(tetradecylamino)nonyl]purine-2,6-dione
Openeye Name:1-[8-hydroxy-9-(tetradecylamino)nonyl]-3,7-dimethyl-purine-2,6-dione
CAS Name:1-[8-hydroxy-9-(tetradecylamino)nonyl]-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-[8-hydroxy-9-(tetradecylamino)nonyl]-3,7-dimethylpurine-2,6-dione
Traditional Name:1-[8-hydroxy-9-(myristylamino)nonyl]-3,7-dimethyl-xanthine
Formula: C30H55N5O3
MolecularWeight: 533.7894
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-31-24-26(36)21-18-15-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3


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