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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(ethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylamino)-1,3-dimethyl-xanthine Formula: C13H18ClN5O2 MolecularWeight: 311.76732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN5O2/c1-5-15-12-16-10-9(19(12)7-6-8(2)14)11(20)18(4)13(21)17(10)3/h6H,5,7H2,1-4H3,(H,15,16)/b8-6-