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

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

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

Canonical SMILES:

CCCCC(CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O


Isomeric SMILES

CCCCC(CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O


InChI

InChI=1S/C28H42N4O3/c1-3-4-18-24(33)19-14-9-7-5-6-8-10-15-20-31-22-29-26-25(31)27(34)32(28(35)30(26)2)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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