8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-1,3-dimethyl-xanthine Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O2/c1-4-9-24-13-14(22(2)17(26)23(3)15(13)25)20-16(24)21-19-10-11-5-7-12(18)8-6-11/h4-8,10H,1,9H2,2-3H3,(H,20,21)/b19-10+