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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC(C)C

InChI

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