7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H16N4O2S/c1-14-7-8-17-15(10-20(27)28-19(17)9-14)12-29-22-18-11-25-26(21(18)23-13-24-22)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3