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3-methyl-1-[11-(octylamino)-10-oxidanyl-undecyl]-7H-purine-2,6-dione

3-methyl-1-[11-(octylamino)-10-oxidanyl-undecyl]-7H-purine-2,6-dione

Systemtic Name:3-methyl-1-[11-(octylamino)-10-oxidanyl-undecyl]-7H-purine-2,6-dione
Openeye Name:1-[10-hydroxy-11-(octylamino)undecyl]-3-methyl-7H-purine-2,6-dione
CAS Name:1-[10-hydroxy-11-(octylamino)undecyl]-3-methyl-7H-purine-2,6-dione
IUPAC Name:1-[10-hydroxy-11-(octylamino)undecyl]-3-methyl-7H-purine-2,6-dione
Traditional Name:1-[10-hydroxy-11-(octylamino)undecyl]-3-methyl-7H-purine-2,6-quinone
Formula: C25H45N5O3
MolecularWeight: 463.6565
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O


Isomeric SMILES

CCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O


InChI

InChI=1S/C25H45N5O3/c1-3-4-5-6-11-14-17-26-19-21(31)16-13-10-8-7-9-12-15-18-30-24(32)22-23(28-20-27-22)29(2)25(30)33/h20-21,26,31H,3-19H2,1-2H3,(H,27,28)


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