(2-acetamido-9-propan-2-yl-purin-6-yl) N,N-diphenylcarbamate

Systemtic Name: (2-acetamido-9-propan-2-yl-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-9-isopropyl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-9-propan-2-yl-6-purinyl) ester IUPAC Name: (2-acetamido-9-propan-2-ylpurin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-9-isopropyl-purin-6-yl) ester Formula: C23H22N6O3 MolecularWeight: 430.45918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C23H22N6O3/c1-15(2)28-14-24-19-20(28)26-22(25-16(3)30)27-21(19)32-23(31)29(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,25,26,27,30)