3-butyl-7-ethyl-8-pyridin-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(2-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(2-pyridyl)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CC

InChI

InChI=1S/C16H19N5O2/c1-3-5-10-21-14-12(15(22)19-16(21)23)20(4-2)13(18-14)11-8-6-7-9-17-11/h6-9H,3-5,10H2,1-2H3,(H,19,22,23)