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3-butyl-8-(6-methoxynaphthalen-2-yl)-7-pentyl-purine-2,6-dione

3-butyl-8-(6-methoxynaphthalen-2-yl)-7-pentyl-purine-2,6-dione

Systemtic Name:3-butyl-8-(6-methoxynaphthalen-2-yl)-7-pentyl-purine-2,6-dione
Openeye Name:3-butyl-8-(6-methoxy-2-naphthyl)-7-pentyl-purine-2,6-dione
CAS Name:3-butyl-8-(6-methoxy-2-naphthalenyl)-7-pentylpurine-2,6-dione
IUPAC Name:3-butyl-8-(6-methoxynaphthalen-2-yl)-7-pentylpurine-2,6-dione
Traditional Name:7-amyl-3-butyl-8-(6-methoxy-2-naphthyl)xanthine
Formula: C25H30N4O3
MolecularWeight: 434.5307
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC4=C(C=C3)C=C(C=C4)OC)N(C(=O)NC2=O)CCCC


Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC4=C(C=C3)C=C(C=C4)OC)N(C(=O)NC2=O)CCCC


InChI

InChI=1S/C25H30N4O3/c1-4-6-8-14-28-21-23(29(13-7-5-2)25(31)27-24(21)30)26-22(28)19-10-9-18-16-20(32-3)12-11-17(18)15-19/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,27,30,31)


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