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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCOC

InChI

InChI=1S/C17H21N5O3/c1-11(2)10-22-15-13(16(23)20-17(22)24)21(8-9-25-3)14(19-15)12-6-4-5-7-18-12/h4-7,11H,8-10H2,1-3H3,(H,20,23,24)