methyl 2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O5/c1-31-25-19(14-29-31)26(34)32(16-28-25)13-12-22(33)37-15-21-24(27(35)36-2)23(17-8-4-3-5-9-17)18-10-6-7-11-20(18)30-21/h3-11,14,16H,12-13,15H2,1-2H3