[2-acetamido-9-(phenylmethyl)purin-6-yl] N,N-diphenylcarbamate

Systemtic Name: [2-acetamido-9-(phenylmethyl)purin-6-yl] N,N-diphenylcarbamate Openeye Name: (2-acetamido-9-benzyl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid [2-acetamido-9-(phenylmethyl)-6-purinyl] ester IUPAC Name: (2-acetamido-9-benzylpurin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-9-benzyl-purin-6-yl) ester Formula: C27H22N6O3 MolecularWeight: 478.50198

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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=CN2CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CC5=CC=CC=C5

InChI

InChI=1S/C27H22N6O3/c1-19(34)29-26-30-24-23(28-18-32(24)17-20-11-5-2-6-12-20)25(31-26)36-27(35)33(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18H,17H2,1H3,(H,29,30,31,34)