tert-butyl N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(6-aminopurin-9-yl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(adenin-9-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C15H20N8O3 MolecularWeight: 360.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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