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

Systemtic Name: methyl 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butanoate Openeye Name: methyl 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butanoate CAS Name: 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butanoate Traditional Name: 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butyric acid methyl ester Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N6O2/c1-31-19(30)9-5-8-18-26-22-20(24-14-25-22)23-27-21(28-29(18)23)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,27,28)