4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]carbostyril Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C21H15N5OS/c27-19-10-14(16-8-4-5-9-18(16)25-19)12-28-21-17-11-24-26(20(17)22-13-23-21)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,25,27)