(2S)-2-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]pentanedinitrile

Systemtic Name: (2S)-2-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]pentanedinitrile Openeye Name: (2S)-2-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]pentanedinitrile CAS Name: (2S)-2-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]pentanedinitrile IUPAC Name: (2S)-2-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]pentanedinitrile Traditional Name: (2S)-2-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]glutaronitrile Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4OS/c19-8-4-5-13(9-20)10-22-12-21-17-16(18(22)23)15(11-24-17)14-6-2-1-3-7-14/h1-3,6-7,11-13H,4-5,10H2/t13-/m1/s1