3-bromanyl-8-butyl-7-methyl-2-(2-phenyl-1-benzofuran-5-yl)-2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]purine

Systemtic Name: 3-bromanyl-8-butyl-7-methyl-2-(2-phenyl-1-benzofuran-5-yl)-2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]purine Openeye Name: 3-bromo-8-butyl-7-methyl-2-(2-phenylbenzofuran-5-yl)-2-(2-trityltetrazol-5-yl)purine CAS Name: 3-bromo-8-butyl-7-methyl-2-(2-phenyl-5-benzofuranyl)-2-[2-(triphenylmethyl)-5-tetrazolyl]purine IUPAC Name: 3-bromo-8-butyl-7-methyl-2-(2-phenyl-1-benzofuran-5-yl)-2-(2-trityltetrazol-5-yl)purine Traditional Name: 3-bromo-8-butyl-7-methyl-2-(2-phenylbenzofuran-5-yl)-2-(2-trityltetrazol-5-yl)purine Formula: C44H37BrN8O MolecularWeight: 773.72158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C)C=NC(N2Br)(C3=CC4=C(C=C3)OC(=C4)C5=CC=CC=C5)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCC1=NC2=C(N1C)C=NC(N2Br)(C3=CC4=C(C=C3)OC(=C4)C5=CC=CC=C5)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H37BrN8O/c1-3-4-25-40-47-41-37(51(40)2)30-46-44(52(41)45,36-26-27-38-32(28-36)29-39(54-38)31-17-9-5-10-18-31)42-48-50-53(49-42)43(33-19-11-6-12-20-33,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-24,26-30H,3-4,25H2,1-2H3