tert-butyl 4-[1-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Systemtic Name: tert-butyl 4-[1-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[1-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid tert-butyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C19H22N4O3/c1-10(13-9-21-15-14(13)16(24)23-18(20)22-15)11-5-7-12(8-6-11)17(25)26-19(2,3)4/h5-10H,1-4H3,(H4,20,21,22,23,24)