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

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

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCN2C=CC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCN2C=CC3=C2C(=O)N=C(N3)N

InChI

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