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7-methyl-1-(11-oxidanylpentadecyl)-3-(phenylmethyl)purine-2,6-dione

7-methyl-1-(11-oxidanylpentadecyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name:7-methyl-1-(11-oxidanylpentadecyl)-3-(phenylmethyl)purine-2,6-dione
Openeye Name:3-benzyl-1-(11-hydroxypentadecyl)-7-methyl-purine-2,6-dione
CAS Name:1-(11-hydroxypentadecyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione
IUPAC Name:3-benzyl-1-(11-hydroxypentadecyl)-7-methylpurine-2,6-dione
Traditional Name:3-benzyl-1-(11-hydroxypentadecyl)-7-methyl-xanthine
Formula: C28H42N4O3
MolecularWeight: 482.65808
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CC=C3)O


Isomeric SMILES

CCCCC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CC=C3)O


InChI

InChI=1S/C28H42N4O3/c1-3-4-18-24(33)19-14-9-7-5-6-8-10-15-20-31-27(34)25-26(29-22-30(25)2)32(28(31)35)21-23-16-12-11-13-17-23/h11-13,16-17,22,24,33H,3-10,14-15,18-21H2,1-2H3


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