4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl benzoate

Systemtic Name: 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl benzoate Openeye Name: 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl benzoate CAS Name: benzoic acid 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl ester IUPAC Name: 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl benzoate Traditional Name: benzoic acid 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyl ester Formula: C29H24N6O2 MolecularWeight: 488.53986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=NC=N5)N=C(N4N3)CCCCOC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=NC=N5)N=C(N4N3)CCCCOC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H24N6O2/c36-29(23-11-5-2-6-12-23)37-18-8-7-13-24-32-27-25(30-19-31-27)28-33-26(34-35(24)28)22-16-14-21(15-17-22)20-9-3-1-4-10-20/h1-6,9-12,14-17,19H,7-8,13,18H2,(H,33,34)