tert-butyl 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoate Openeye Name: tert-butyl 2-(2-amino-6-oxo-3H-purin-9-yl)acetate CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-amino-6-oxo-3H-purin-9-yl)acetate Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)acetic acid tert-butyl ester Formula: C11H15N5O3 MolecularWeight: 265.2685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H15N5O3/c1-11(2,3)19-6(17)4-16-5-13-7-8(16)14-10(12)15-9(7)18/h5H,4H2,1-3H3,(H3,12,14,15,18)