(phenylmethyl) 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (phenylmethyl) 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: benzyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid benzyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C(C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-15(22(28)29-14-17-9-5-3-6-10-17)25-16(2)24-20-19(21(25)27)13-23-26(20)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3