8-[[2-chloroethyl(propan-2-yl)amino]hydrazinylidene]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[2-chloroethyl(propan-2-yl)amino]hydrazinylidene]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[2-chloroethyl(isopropyl)amino]hydrazono]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-chloroethyl(propan-2-yl)amino]hydrazinylidene]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[2-chloroethyl(propan-2-yl)amino]hydrazinylidene]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-chloroethyl(isopropyl)amino]hydrazono]-1,3-dimethyl-xanthine Formula: C12H18ClN7O2 MolecularWeight: 327.77002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCl)NN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N(CCCl)NN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18ClN7O2/c1-7(2)20(6-5-13)17-16-11-14-8-9(15-11)18(3)12(22)19(4)10(8)21/h7,17H,5-6H2,1-4H3