8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(2-chlorophenyl)methylene]hydrazino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(2-chlorobenzylidene)hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CC=C3Cl)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN6O2/c1-27-19-18(20(30)28(2)22(27)31)29(13-12-15-8-4-3-5-9-15)21(25-19)26-24-14-16-10-6-7-11-17(16)23/h3-11,14H,12-13H2,1-2H3,(H,25,26)/b24-14+