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2-(3,5-dibutylphenyl)-7-(phenylmethyl)-3H-purin-6-one

2-(3,5-dibutylphenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name:2-(3,5-dibutylphenyl)-7-(phenylmethyl)-3H-purin-6-one
Openeye Name:7-benzyl-2-(3,5-dibutylphenyl)-3H-purin-6-one
CAS Name:2-(3,5-dibutylphenyl)-7-(phenylmethyl)-3H-purin-6-one
IUPAC Name:7-benzyl-2-(3,5-dibutylphenyl)-3H-purin-6-one
Traditional Name:7-benzyl-2-(3,5-dibutylphenyl)-3H-purin-6-one
Formula: C26H30N4O
MolecularWeight: 414.5426
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)CCCC


Isomeric SMILES

CCCCC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)CCCC


InChI

InChI=1S/C26H30N4O/c1-3-5-10-20-14-21(11-6-4-2)16-22(15-20)24-28-25-23(26(31)29-24)30(18-27-25)17-19-12-8-7-9-13-19/h7-9,12-16,18H,3-6,10-11,17H2,1-2H3,(H,28,29,31)


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