(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methyl 2-[ethyl(phenylmethoxycarbonyl)amino]-3-methyl-butaneperoxoate

Systemtic Name: (2-acetamido-6-oxidanylidene-3H-purin-9-yl)methyl 2-[ethyl(phenylmethoxycarbonyl)amino]-3-methyl-butaneperoxoate Openeye Name: (2-acetamido-6-oxo-3H-purin-9-yl)methyl 2-[benzyloxycarbonyl(ethyl)amino]-3-methyl-butaneperoxoate CAS Name: 2-[ethyl(phenylmethoxycarbonyl)amino]-3-methylbutaneperoxoic acid (2-acetamido-6-oxo-3H-purin-9-yl)methyl ester IUPAC Name: (2-acetamido-6-oxo-3H-purin-9-yl)methyl 2-[ethyl(phenylmethoxycarbonyl)amino]-3-methylbutaneperoxoate Traditional Name: 2-[carbobenzoxy(ethyl)amino]-3-methyl-peroxybutyric acid (2-acetamido-6-keto-3H-purin-9-yl)methyl ester Formula: C23H28N6O7 MolecularWeight: 500.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C(C)C)C(=O)OOCN1C=NC2=C1NC(=NC2=O)NC(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C(C(C)C)C(=O)OOCN1C=NC2=C1NC(=NC2=O)NC(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O7/c1-5-29(23(33)34-11-16-9-7-6-8-10-16)18(14(2)3)21(32)36-35-13-28-12-24-17-19(28)26-22(25-15(4)30)27-20(17)31/h6-10,12,14,18H,5,11,13H2,1-4H3,(H2,25,26,27,30,31)