4-[(2S)-2-oxidanyl-3-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C[C@@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H17N3O3S/c23-10-15-6-8-18(9-7-15)28-12-17(26)11-25-14-24-21-20(22(25)27)19(13-29-21)16-4-2-1-3-5-16/h1-9,13-14,17,26H,11-12H2/t17-/m0/s1