8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-3-methyl-7-propyl-xanthine Formula: C17H19BrN6O3 MolecularWeight: 435.27516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19BrN6O3/c1-4-7-24-13-14(23(2)17(26)21-15(13)25)20-16(24)22-19-9-10-8-11(18)5-6-12(10)27-3/h5-6,8-9H,4,7H2,1-3H3,(H,20,22)(H,21,25,26)/b19-9+