3-butyl-7-[(2-methoxyphenyl)methyl]-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-butyl-7-o-anisyl-8-(4-pyridyl)xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C22H23N5O3/c1-3-4-13-26-20-18(21(28)25-22(26)29)27(14-16-7-5-6-8-17(16)30-2)19(24-20)15-9-11-23-12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,25,28,29)