methyl (1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-ene-1-carboxylate Openeye Name: methyl (1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-ene-1-carboxylate CAS Name: (1S,4R)-4-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-1-cyclopent-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-ene-1-carboxylate Traditional Name: (1S,4R)-4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]cyclopent-2-ene-1-carboxylic acid methyl ester Formula: C27H24N6O5 MolecularWeight: 512.51666

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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)C(=O)OC

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)C(=O)OC

InChI

InChI=1S/C27H24N6O5/c1-17(34)29-26-30-23-22(28-16-32(23)21-14-13-18(15-21)25(35)37-2)24(31-26)38-27(36)33(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,18,21H,15H2,1-2H3,(H,29,30,31,34)/t18-,21+/m1/s1