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

Systemtic Name: (2-acetamido-9-ethenyl-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-9-vinyl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-9-ethenyl-6-purinyl) ester IUPAC Name: (2-acetamido-9-ethenylpurin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-9-vinyl-purin-6-yl) ester Formula: C22H18N6O3 MolecularWeight: 414.41672

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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)N=CN2C=C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C=C

InChI

InChI=1S/C22H18N6O3/c1-3-27-14-23-18-19(27)25-21(24-15(2)29)26-20(18)31-22(30)28(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,1H2,2H3,(H,24,25,26,29)