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

Systemtic Name: 8-[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(N'Z)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-3-methyl-xanthine Formula: C21H19BrN6O3 MolecularWeight: 483.31796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC(=C3)Br)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=C(C=CC(=C3)Br)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN6O3/c1-27-18-17(19(29)25-21(27)30)28(12-13-6-4-3-5-7-13)20(24-18)26-23-11-14-10-15(22)8-9-16(14)31-2/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11-