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

Systemtic Name: (2-acetamido-9-prop-2-enyl-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-9-allyl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-9-prop-2-enyl-6-purinyl) ester IUPAC Name: (2-acetamido-9-prop-2-enylpurin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-9-allyl-purin-6-yl) ester Formula: C23H20N6O3 MolecularWeight: 428.4433

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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=CN2CC=C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CC=C

InChI

InChI=1S/C23H20N6O3/c1-3-14-28-15-24-19-20(28)26-22(25-16(2)30)27-21(19)32-23(31)29(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3,(H,25,26,27,30)