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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN6O3/c1-22-13-12(14(24)20-16(22)25)23(7-8-26-2)15(19-13)21-18-9-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,20,24,25)/b18-9+