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

Systemtic Name: tert-butyl N-[2-[[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1-cyano-ethyl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-(4-amino-2-oxo-pyrimidin-1-yl)-1-cyano-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[2-(4-amino-2-oxo-1-pyrimidinyl)-1-cyanoethyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)-1-cyanoethyl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[2-(4-amino-2-keto-pyrimidin-1-yl)-1-cyano-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C14H20N6O4 MolecularWeight: 336.3464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O4/c1-14(2,3)24-13(23)17-7-11(21)18-9(6-15)8-20-5-4-10(16)19-12(20)22/h4-5,9H,7-8H2,1-3H3,(H,17,23)(H,18,21)(H2,16,19,22)