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

Systemtic Name: tert-butyl 4-[1-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Openeye Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate CAS Name: 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Traditional Name: 4-[1-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid tert-butyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-5-13(14-10-22-16-15(14)17(25)24-19(21)23-16)11-6-8-12(9-7-11)18(26)27-20(2,3)4/h6-10,13H,5H2,1-4H3,(H4,21,22,23,24,25)