2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one

Systemtic Name: 2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one Openeye Name: 2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one CAS Name: 2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one IUPAC Name: 2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one Traditional Name: 2-ethyl-7-(3-phenoxypropyl)-3H-purin-6-one Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CCCOC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CCCOC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-2-13-18-15-14(16(21)19-13)20(11-17-15)9-6-10-22-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,18,19,21)