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

Systemtic Name: methyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]acetate Traditional Name: 2-[6-(diphenylcarbamoyloxy)-2-(isobutyrylamino)purin-9-yl]acetic acid methyl ester Formula: C25H24N6O5 MolecularWeight: 488.49526

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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

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

InChI

InChI=1S/C25H24N6O5/c1-16(2)22(33)28-24-27-21-20(26-15-30(21)14-19(32)35-3)23(29-24)36-25(34)31(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3,(H,27,28,29,33)