3-ethyl-7-isoquinolin-8-yl-purine-2,6-dione

Systemtic Name: 3-ethyl-7-isoquinolin-8-yl-purine-2,6-dione Openeye Name: 3-ethyl-7-(8-isoquinolyl)purine-2,6-dione CAS Name: 3-ethyl-7-(8-isoquinolinyl)purine-2,6-dione IUPAC Name: 3-ethyl-7-isoquinolin-8-ylpurine-2,6-dione Traditional Name: 3-ethyl-7-(8-isoquinolyl)xanthine Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C=N2)C3=CC=CC4=C3C=NC=C4

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C=N2)C3=CC=CC4=C3C=NC=C4

InChI

InChI=1S/C16H13N5O2/c1-2-20-14-13(15(22)19-16(20)23)21(9-18-14)12-5-3-4-10-6-7-17-8-11(10)12/h3-9H,2H2,1H3,(H,19,22,23)