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

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (2-oxo-1,2-diphenyl-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-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 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 desyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4/c1-26-22-18(14-25-26)23(30)27(15-24-22)13-12-19(28)31-21(17-10-6-3-7-11-17)20(29)16-8-4-2-5-9-16/h2-11,14-15,21H,12-13H2,1H3