[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CCN1C=NC2=C(C1=O)C=NN2C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CCN1C=NC2=C(C1=O)C=NN2C

InChI

InChI=1S/C16H23N5O4/c1-5-16(2,3)19-12(22)9-25-13(23)6-7-21-10-17-14-11(15(21)24)8-18-20(14)4/h8,10H,5-7,9H2,1-4H3,(H,19,22)