(2-acetamido-8-bromanyl-7H-purin-6-yl) N,N-diphenylcarbamate

Systemtic Name: (2-acetamido-8-bromanyl-7H-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-8-bromo-7H-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-8-bromo-7H-purin-6-yl) ester IUPAC Name: (2-acetamido-8-bromo-7H-purin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-8-bromo-7H-purin-6-yl) ester Formula: C20H15BrN6O3 MolecularWeight: 467.2755

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=N2)Br

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=N2)Br

InChI

InChI=1S/C20H15BrN6O3/c1-12(28)22-19-25-16-15(23-18(21)24-16)17(26-19)30-20(29)27(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H2,22,23,24,25,26,28)