8-ethyl-7-heptyl-3-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione

Systemtic Name: 8-ethyl-7-heptyl-3-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione Openeye Name: 8-ethyl-7-heptyl-3-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione CAS Name: 8-ethyl-7-heptyl-3-[(4-methoxyphenyl)methyl]-1-methylpurine-2,6-dione IUPAC Name: 8-ethyl-7-heptyl-3-[(4-methoxyphenyl)methyl]-1-methylpurine-2,6-dione Traditional Name: 8-ethyl-7-heptyl-1-methyl-3-p-anisyl-xanthine Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=C(C=C3)OC)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=C(C=C3)OC)C)CC

InChI

InChI=1S/C23H32N4O3/c1-5-7-8-9-10-15-26-19(6-2)24-21-20(26)22(28)25(3)23(29)27(21)16-17-11-13-18(30-4)14-12-17/h11-14H,5-10,15-16H2,1-4H3