7-[(3-bromophenyl)methyl]-8-diazanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-diazanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-hydrazino-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-hydrazino-1,3-dimethyl-xanthine Formula: C14H15BrN6O2 MolecularWeight: 379.2119

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H15BrN6O2/c1-19-11-10(12(22)20(2)14(19)23)21(13(17-11)18-16)7-8-4-3-5-9(15)6-8/h3-6H,7,16H2,1-2H3,(H,17,18)