tert-butyl N-[2-[[2-(6-aminopurin-9-yl)-1-cyano-ethyl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[2-(6-aminopurin-9-yl)-1-cyano-ethyl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-(6-aminopurin-9-yl)-1-cyano-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[2-(6-aminopurin-9-yl)-1-cyanoethyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-(6-aminopurin-9-yl)-1-cyanoethyl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[(2-adenin-9-yl-1-cyano-ethyl)amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C15H20N8O3 MolecularWeight: 360.3711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC(CN1C=NC2=C1N=CN=C2N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC(CN1C=NC2=C1N=CN=C2N)C#N

InChI

InChI=1S/C15H20N8O3/c1-15(2,3)26-14(25)18-5-10(24)22-9(4-16)6-23-8-21-11-12(17)19-7-20-13(11)23/h7-9H,5-6H2,1-3H3,(H,18,25)(H,22,24)(H2,17,19,20)