4-[(2S)-2-oxidanyl-3-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-oxo-3-thieno[3,2-d]pyrimidinyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(4-ketothieno[3,2-d]pyrimidin-3-yl)propoxy]benzonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN2C=NC3=C(C2=O)SC=C3)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC[C@H](CN2C=NC3=C(C2=O)SC=C3)O

InChI

InChI=1S/C16H13N3O3S/c17-7-11-1-3-13(4-2-11)22-9-12(20)8-19-10-18-14-5-6-23-15(14)16(19)21/h1-6,10,12,20H,8-9H2/t12-/m0/s1