(2R)-2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2R)-2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-(3-benzyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: (2R)-2-[[4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]propanenitrile IUPAC Name: (2R)-2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: (2R)-2-[(3-benzyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]propionitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC=C2

Isomeric SMILES

C[C@H](C#N)SC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C16H13N3OS2/c1-11(9-17)22-16-18-13-7-8-21-14(13)15(20)19(16)10-12-5-3-2-4-6-12/h2-8,11H,10H2,1H3/t11-/m1/s1