2-[(E)-4-(6-aminopurin-9-yl)but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-(6-aminopurin-9-yl)but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(6-aminopurin-9-yl)but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(6-aminopurin-9-yl)but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(6-aminopurin-9-yl)but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-adenin-9-ylbut-3-enyl]isoindoline-1,3-quinone Formula: C17H14N6O2 MolecularWeight: 334.33206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC/C=C/N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H14N6O2/c18-14-13-15(20-9-19-14)22(10-21-13)7-3-4-8-23-16(24)11-5-1-2-6-12(11)17(23)25/h1-3,5-7,9-10H,4,8H2,(H2,18,19,20)/b7-3+