1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C22H20Cl2N6O2 MolecularWeight: 471.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl)/C4=CC=CC=C4

InChI

InChI=1S/C22H20Cl2N6O2/c1-13(14-7-5-4-6-8-14)26-27-21-25-19-18(28(21)2)20(31)30(22(32)29(19)3)12-15-9-10-16(23)11-17(15)24/h4-11H,12H2,1-3H3,(H,25,27)/b26-13+