7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazino-xanthine Formula: C15H21ClN6O2 MolecularWeight: 352.81924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C15H21ClN6O2/c1-10(16)4-7-22-11-12(19(2)15(24)20(3)13(11)23)18-14(22)21-8-5-17-6-9-21/h4,17H,5-9H2,1-3H3/b10-4+