tert-butyl N-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1-cyano-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1-cyano-ethyl]carbamate Openeye Name: tert-butyl N-[2-(4-amino-2-oxo-pyrimidin-1-yl)-1-cyano-ethyl]carbamate CAS Name: N-[2-(4-amino-2-oxo-1-pyrimidinyl)-1-cyanoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4-amino-2-oxopyrimidin-1-yl)-1-cyanoethyl]carbamate Traditional Name: N-[2-(4-amino-2-keto-pyrimidin-1-yl)-1-cyano-ethyl]carbamic acid tert-butyl ester Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=CC(=NC1=O)N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=CC(=NC1=O)N)C#N

InChI

InChI=1S/C12H17N5O3/c1-12(2,3)20-11(19)15-8(6-13)7-17-5-4-9(14)16-10(17)18/h4-5,8H,7H2,1-3H3,(H,15,19)(H2,14,16,18)