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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-diazanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-hydrazino-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-hydrazino-1,3-dimethyl-xanthine Formula: C11H15ClN6O2 MolecularWeight: 298.7288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NN)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1NN)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C11H15ClN6O2/c1-6(12)4-5-18-7-8(14-10(18)15-13)16(2)11(20)17(3)9(7)19/h4H,5,13H2,1-3H3,(H,14,15)/b6-4+