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

Systemtic Name: 7-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C17H14N4O3S/c1-21-16-13(7-20-21)17(19-9-18-16)25-8-10-5-15(22)24-14-6-11(23-2)3-4-12(10)14/h3-7,9H,8H2,1-2H3