6-[(2S)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2S)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2S)-2-hydroxy-3-phenoxy-propyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[(2S)-2-hydroxy-3-phenoxypropyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2S)-2-hydroxy-3-phenoxypropyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(2S)-2-hydroxy-3-phenoxy-propyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SC[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C20H18N4O3S/c25-15(12-27-16-9-5-2-6-10-16)13-28-20-22-18-17(11-21-23-18)19(26)24(20)14-7-3-1-4-8-14/h1-11,15,25H,12-13H2,(H,21,23)/t15-/m0/s1