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

Systemtic Name: 8-(butylamino)-7-[(Z)-3-chloranylbut-2-enyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-xanthine Formula: C15H22ClN5O2 MolecularWeight: 339.82048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC=C(C)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H22ClN5O2/c1-5-6-8-17-14-18-12-11(21(14)9-7-10(2)16)13(22)20(4)15(23)19(12)3/h7H,5-6,8-9H2,1-4H3,(H,17,18)/b10-7-