1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-3-(4-phenylphenoxy)propan-2-ol Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H20N4O2S/c1-25-20-19(11-24-25)21(23-14-22-20)28-13-17(26)12-27-18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-11,14,17,26H,12-13H2,1H3