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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(4-acetamidophenyl)-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-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-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-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C19H19N5O5 MolecularWeight: 397.38466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H19N5O5/c1-12(25)22-14-5-3-13(4-6-14)16(26)10-29-17(27)7-8-24-11-20-18-15(19(24)28)9-21-23(18)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,25)