1-[4-[2-oxidanyl-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propoxy]phenyl]propan-1-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)O

InChI

InChI=1S/C23H22N4O3S/c1-2-21(29)16-8-10-19(11-9-16)30-13-18(28)14-31-23-20-12-26-27(22(20)24-15-25-23)17-6-4-3-5-7-17/h3-12,15,18,28H,2,13-14H2,1H3