1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione

Systemtic Name: 1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione Openeye Name: 1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione CAS Name: 1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione IUPAC Name: 1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-dione Traditional Name: 1-phenyl-1,3-dipropyl-7H-purin-1-ium-2,6-quinone Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)[N+](C1=O)(CCC)C3=CC=CC=C3)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)[N+](C1=O)(CCC)C3=CC=CC=C3)NC=N2

InChI

InChI=1S/C17H20N4O2/c1-3-10-20-15-14(18-12-19-15)16(22)21(11-4-2,17(20)23)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/p+1