7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-purine-2,6-dione Openeye Name: 7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methylpurine-2,6-dione IUPAC Name: 7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-xanthine Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H36N4O4/c1-4-5-6-9-16-28-19-26-23-22(28)24(30)29(25(31)27(23)2)17-10-7-8-11-18-33-21-14-12-20(32-3)13-15-21/h12-15,19H,4-11,16-18H2,1-3H3