methyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C24H19N5O2S/c1-29-22-17(12-27-29)23(26-14-25-22)32-13-19-21(24(30)31-2)20(15-8-4-3-5-9-15)16-10-6-7-11-18(16)28-19/h3-12,14H,13H2,1-2H3