[(1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-en-1-yl] benzoate

Systemtic Name: [(1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-en-1-yl] benzoate Openeye Name: [(1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,4R)-4-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-1-cyclopent-2-enyl] ester IUPAC Name: [(1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-en-1-yl] ester Formula: C32H26N6O5 MolecularWeight: 574.58604

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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=CN2C5CC(C=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@@H]5C[C@@H](C=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H26N6O5/c1-21(39)34-31-35-28-27(33-20-37(28)25-17-18-26(19-25)42-30(40)22-11-5-2-6-12-22)29(36-31)43-32(41)38(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-18,20,25-26H,19H2,1H3,(H,34,35,36,39)/t25-,26+/m0/s1