tert-butyl 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-methyl-7H-purin-6-yl]oxy]-2-cyano-benzoate

Systemtic Name: tert-butyl 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-methyl-7H-purin-6-yl]oxy]-2-cyano-benzoate Openeye Name: tert-butyl 2-cyano-5-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoate CAS Name: 2-cyano-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzoate Traditional Name: 2-cyano-5-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid tert-butyl ester Formula: C25H24N8O4 MolecularWeight: 500.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC=C3N=C(N)N)OC4=CC(=C(C=C4)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC=C3N=C(N)N)OC4=CC(=C(C=C4)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H24N8O4/c1-13-29-19-20(30-13)32-24(36-18-8-6-5-7-17(18)31-23(27)28)33-21(19)35-15-10-9-14(12-26)16(11-15)22(34)37-25(2,3)4/h5-11H,1-4H3,(H4,27,28,31)(H,29,30,32,33)