8-[(2E)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(2-chloro-6-fluoro-phenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-(2-chloro-6-fluoro-benzylidene)hydrazino]-3-methyl-xanthine Formula: C16H14ClFN6O2 MolecularWeight: 376.772763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC=C3Cl)F)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=C(C=CC=C3Cl)F)CC=C

InChI

InChI=1S/C16H14ClFN6O2/c1-3-7-24-12-13(23(2)16(26)21-14(12)25)20-15(24)22-19-8-9-10(17)5-4-6-11(9)18/h3-6,8H,1,7H2,2H3,(H,20,22)(H,21,25,26)/b19-8+