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

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-isobutyl-3-methyl-xanthine Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21BrN6O3/c1-10(2)9-25-14-15(24(3)18(27)22-16(14)26)21-17(25)23-20-8-11-7-12(19)5-6-13(11)28-4/h5-8,10H,9H2,1-4H3,(H,21,23)(H,22,26,27)/b20-8+