[2-acetamido-8-bromanyl-9-(oxolan-2-yl)purin-6-yl] N,N-diphenylcarbamate

Systemtic Name: [2-acetamido-8-bromanyl-9-(oxolan-2-yl)purin-6-yl] N,N-diphenylcarbamate Openeye Name: (2-acetamido-8-bromo-9-tetrahydrofuran-2-yl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid [2-acetamido-8-bromo-9-(2-oxolanyl)-6-purinyl] ester IUPAC Name: [2-acetamido-8-bromo-9-(oxolan-2-yl)purin-6-yl] N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid [2-acetamido-8-bromo-9-(tetrahydrofuryl)purin-6-yl] ester Formula: C24H21BrN6O4 MolecularWeight: 537.36534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=C(N2C5CCCO5)Br

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=C(N2C5CCCO5)Br

InChI

InChI=1S/C24H21BrN6O4/c1-15(32)26-23-28-20-19(27-22(25)31(20)18-13-8-14-34-18)21(29-23)35-24(33)30(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-14H2,1H3,(H,26,28,29,32)