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1-pentyl-3-phenethyl-8-(phenylmethyl)-7H-purine-2,6-dione

1-pentyl-3-phenethyl-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name:1-pentyl-3-phenethyl-8-(phenylmethyl)-7H-purine-2,6-dione
Openeye Name:8-benzyl-1-pentyl-3-phenethyl-7H-purine-2,6-dione
CAS Name:1-pentyl-3-phenethyl-8-(phenylmethyl)-7H-purine-2,6-dione
IUPAC Name:8-benzyl-1-pentyl-3-phenethyl-7H-purine-2,6-dione
Traditional Name:1-amyl-8-benzyl-3-phenethyl-7H-purine-2,6-quinone
Formula: C25H28N4O2
MolecularWeight: 416.51542
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4


Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4


InChI

InChI=1S/C25H28N4O2/c1-2-3-10-16-29-24(30)22-23(27-21(26-22)18-20-13-8-5-9-14-20)28(25(29)31)17-15-19-11-6-4-7-12-19/h4-9,11-14H,2-3,10,15-18H2,1H3,(H,26,27)


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