[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-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 [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 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-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCN1C=NC2=C(C1=O)C=NN2C

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCN1C=NC2=C(C1=O)C=NN2C

InChI

InChI=1S/C16H22N6O5/c1-9(2)19-16(26)20-14(24)10(3)27-12(23)5-6-22-8-17-13-11(15(22)25)7-18-21(13)4/h7-10H,5-6H2,1-4H3,(H2,19,20,24,26)