2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]acetic acid CAS Name: 2-[2-[(2-methyl-1-oxopropyl)amino]-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]acetic acid IUPAC Name: 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]acetic acid Traditional Name: 2-[6-(diphenylcarbamoyloxy)-2-(isobutyrylamino)purin-9-yl]acetic acid Formula: C24H22N6O5 MolecularWeight: 474.46868

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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)O

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)O

InChI

InChI=1S/C24H22N6O5/c1-15(2)21(33)27-23-26-20-19(25-14-29(20)13-18(31)32)22(28-23)35-24(34)30(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)(H,26,27,28,33)