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

Systemtic Name: (2-acetamido-7H-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-7H-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-7H-purin-6-yl) ester IUPAC Name: (2-acetamido-7H-purin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-7H-purin-6-yl) ester Formula: C20H16N6O3 MolecularWeight: 388.37944

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O3/c1-13(27)23-19-24-17-16(21-12-22-17)18(25-19)29-20(28)26(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3,(H2,21,22,23,24,25,27)