4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]butyl ethanoate

Systemtic Name: 4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]butyl ethanoate Openeye Name: 4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]butyl acetate CAS Name: acetic acid 4-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]butyl ester IUPAC Name: 4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]butyl acetate Traditional Name: acetic acid 4-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]butyl ester Formula: C26H26N6O5 MolecularWeight: 502.52184

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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=CN2CCCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CCCCOC(=O)C

InChI

InChI=1S/C26H26N6O5/c1-18(33)28-25-29-23-22(27-17-31(23)15-9-10-16-36-19(2)34)24(30-25)37-26(35)32(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,28,29,30,33)