8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C24H19BrN6O2 MolecularWeight: 503.35066

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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)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H19BrN6O2/c1-30-21-20(22(32)28-24(30)33)31(14-17-7-4-6-16-5-2-3-8-19(16)17)23(27-21)29-26-13-15-9-11-18(25)12-10-15/h2-13H,14H2,1H3,(H,27,29)(H,28,32,33)/b26-13+