1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzo[f]chromen-3-one Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C20H14N4O2S/c1-24-19-15(9-23-24)20(22-11-21-19)27-10-13-8-17(25)26-16-7-6-12-4-2-3-5-14(12)18(13)16/h2-9,11H,10H2,1H3