tert-butyl N-[3-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamate Openeye Name: tert-butyl N-[3-(7-benzyl-6-oxo-3H-purin-2-yl)phenyl]carbamate CAS Name: N-[3-[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(7-benzyl-6-oxo-3H-purin-2-yl)phenyl]carbamate Traditional Name: N-[3-(7-benzyl-6-keto-3H-purin-2-yl)phenyl]carbamic acid tert-butyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-23(2,3)31-22(30)25-17-11-7-10-16(12-17)19-26-20-18(21(29)27-19)28(14-24-20)13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3,(H,25,30)(H,26,27,29)