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

Systemtic Name: 1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzo[f]chromen-3-one Formula: C25H16N4O2S MolecularWeight: 436.48514

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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)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C25H16N4O2S/c30-22-12-17(23-19-9-5-4-6-16(19)10-11-21(23)31-22)14-32-25-20-13-28-29(24(20)26-15-27-25)18-7-2-1-3-8-18/h1-13,15H,14H2