3-but-3-enyl-8-chloranyl-7H-purine-2,6-dione

Systemtic Name: 3-but-3-enyl-8-chloranyl-7H-purine-2,6-dione Openeye Name: 3-but-3-enyl-8-chloro-7H-purine-2,6-dione CAS Name: 3-but-3-enyl-8-chloro-7H-purine-2,6-dione IUPAC Name: 3-but-3-enyl-8-chloro-7H-purine-2,6-dione Traditional Name: 3-but-3-enyl-8-chloro-7H-purine-2,6-quinone Formula: C9H9ClN4O2 MolecularWeight: 240.64636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl

Isomeric SMILES

C=CCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl

InChI

InChI=1S/C9H9ClN4O2/c1-2-3-4-14-6-5(11-8(10)12-6)7(15)13-9(14)16/h2H,1,3-4H2,(H,11,12)(H,13,15,16)