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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C17H27ClN6O2 MolecularWeight: 382.88828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC=C(C)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H27ClN6O2/c1-6-23(7-2)11-9-19-16-20-14-13(24(16)10-8-12(3)18)15(25)22(5)17(26)21(14)4/h8H,6-7,9-11H2,1-5H3,(H,19,20)/b12-8-