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

Systemtic Name: 7-(2-methoxyethyl)-3-propyl-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-propyl-8-(2-pyridyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-propyl-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-propyl-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-propyl-8-(2-pyridyl)xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCOC

InChI

InChI=1S/C16H19N5O3/c1-3-8-21-14-12(15(22)19-16(21)23)20(9-10-24-2)13(18-14)11-6-4-5-7-17-11/h4-7H,3,8-10H2,1-2H3,(H,19,22,23)