3-butyl-7-(2-methylpropyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-(4-pyridyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-4-5-10-22-16-14(17(24)21-18(22)25)23(11-12(2)3)15(20-16)13-6-8-19-9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,24,25)