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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN6O2/c1-13(15-8-4-3-5-9-15)25-26-20-23-18-17(19(29)24-21(30)27(18)2)28(20)12-14-7-6-10-16(22)11-14/h3-11H,12H2,1-2H3,(H,23,26)(H,24,29,30)/b25-13+