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

Systemtic Name: 8-methyl-7-oxidanyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)O

InChI

InChI=1S/C22H16N4O3S/c1-13-18(27)8-7-16-14(9-19(28)29-20(13)16)11-30-22-17-10-25-26(21(17)23-12-24-22)15-5-3-2-4-6-15/h2-10,12,27H,11H2,1H3