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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C16H22ClN5O2 MolecularWeight: 351.83118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C16H22ClN5O2/c1-11(17)7-10-22-12-13(19(2)16(24)20(3)14(12)23)18-15(22)21-8-5-4-6-9-21/h7H,4-6,8-10H2,1-3H3/b11-7-