1-[(2-fluorophenyl)methoxy]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-2-ol

Systemtic Name: 1-[(2-fluorophenyl)methoxy]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-2-ol Openeye Name: 1-[(2-fluorophenyl)methoxy]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-2-ol CAS Name: 1-[(2-fluorophenyl)methoxy]-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-propanol IUPAC Name: 1-[(2-fluorophenyl)methoxy]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-2-ol Traditional Name: 1-(2-fluorobenzyl)oxy-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-2-ol Formula: C21H19FN4O2S MolecularWeight: 410.464563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(COCC4=CC=CC=C4F)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(COCC4=CC=CC=C4F)O

InChI

InChI=1S/C21H19FN4O2S/c22-19-9-5-4-6-15(19)11-28-12-17(27)13-29-21-18-10-25-26(20(18)23-14-24-21)16-7-2-1-3-8-16/h1-10,14,17,27H,11-13H2