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

Systemtic Name: tert-butyl 4-[1-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enyl]benzoate Openeye Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)allyl]benzoate CAS Name: 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enyl]benzoate Traditional Name: 4-[1-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)allyl]benzoic acid tert-butyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/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/h5-10,13H,1H2,2-4H3,(H4,21,22,23,24,25)