tert-butyl 3-[6-[bis(phenylcarbonyl)amino]purin-9-yl]propanoate

Systemtic Name: tert-butyl 3-[6-[bis(phenylcarbonyl)amino]purin-9-yl]propanoate Openeye Name: tert-butyl 3-[6-(dibenzoylamino)purin-9-yl]propanoate CAS Name: 3-[6-(dibenzoylamino)-9-purinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(dibenzoylamino)purin-9-yl]propanoate Traditional Name: 3-[6-(dibenzoylamino)purin-9-yl]propionic acid tert-butyl ester Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4/c1-26(2,3)35-20(32)14-15-30-17-29-21-22(30)27-16-28-23(21)31(24(33)18-10-6-4-7-11-18)25(34)19-12-8-5-9-13-19/h4-13,16-17H,14-15H2,1-3H3