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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N/N=C\C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

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