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

Systemtic Name: 1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)/C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-15(17-12-8-5-9-13-17)24-25-21-23-19-18(20(29)27(3)22(30)26(19)2)28(21)14-16-10-6-4-7-11-16/h4-13H,14H2,1-3H3,(H,23,25)/b24-15+