tert-butyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]ethanoate Openeye Name: tert-butyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]acetate CAS Name: 2-[2-[(2-methyl-1-oxopropyl)amino]-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]acetate Traditional Name: 2-[6-(diphenylcarbamoyloxy)-2-(isobutyrylamino)purin-9-yl]acetic acid tert-butyl ester Formula: C28H30N6O5 MolecularWeight: 530.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CC(=O)OC(C)(C)C

InChI

InChI=1S/C28H30N6O5/c1-18(2)24(36)31-26-30-23-22(29-17-33(23)16-21(35)39-28(3,4)5)25(32-26)38-27(37)34(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18H,16H2,1-5H3,(H,30,31,32,36)