8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN6O2/c1-28-19-18(20(30)26-22(28)31)29(13-5-8-15-6-3-2-4-7-15)21(25-19)27-24-14-16-9-11-17(23)12-10-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,25,27)(H,26,30,31)/b24-14+