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

Systemtic Name: tert-butyl 4-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoate Openeye Name: tert-butyl 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoate CAS Name: 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoate Traditional Name: 4-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoic acid tert-butyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C18H20N4O3/c1-18(2,3)25-16(24)11-6-4-10(5-7-11)8-12-9-20-14-13(12)15(23)22-17(19)21-14/h4-7,9H,8H2,1-3H3,(H4,19,20,21,22,23)