8-[(2E)-2-[[2,6-bis(chloranyl)phenyl]methylidene]hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[[2,6-bis(chloranyl)phenyl]methylidene]hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2E)-2-[(2,6-dichlorophenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(N'E)-N'-(2,6-dichlorobenzylidene)hydrazino]-1,3-dimethyl-xanthine Formula: C21H18Cl2N6O2 MolecularWeight: 457.31262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=C(C=CC=C3Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=C(C=CC=C3Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18Cl2N6O2/c1-27-18-17(19(30)28(2)21(27)31)29(12-13-7-4-3-5-8-13)20(25-18)26-24-11-14-15(22)9-6-10-16(14)23/h3-11H,12H2,1-2H3,(H,25,26)/b24-11+