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

Systemtic Name: tert-butyl N-[3-(6-aminopurin-9-yl)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-amino-1-[(6-aminopurin-9-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-amino-3-(6-aminopurin-9-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-3-(6-aminopurin-9-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(adenin-9-ylmethyl)-2-amino-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C13H19N7O3 MolecularWeight: 321.33506

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)N

Isomeric SMILES

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

InChI

InChI=1S/C13H19N7O3/c1-13(2,3)23-12(22)19-7(10(15)21)4-20-6-18-8-9(14)16-5-17-11(8)20/h5-7H,4H2,1-3H3,(H2,15,21)(H,19,22)(H2,14,16,17)