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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-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-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C13H16N6O5 MolecularWeight: 336.30334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O5/c1-14-13(23)17-9(20)6-24-10(21)3-4-19-7-15-11-8(12(19)22)5-16-18(11)2/h5,7H,3-4,6H2,1-2H3,(H2,14,17,20,23)