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

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-(4-pyridyl)xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-3-4-9-22-15-13(16(23)20-17(22)24)21(10-11-25-2)14(19-15)12-5-7-18-8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,20,23,24)