4-[(E)-3-oxidanylidene-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(1-pyrrolidinyl)prop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-ylprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-2-(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidino-prop-1-enyl]benzonitrile Formula: C26H20N4O2S MolecularWeight: 452.5276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CC=C(C=C2)C#N)C3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H20N4O2S/c27-16-18-10-8-17(9-11-18)14-20(26(32)30-12-4-5-13-30)23-28-24(31)21-15-22(33-25(21)29-23)19-6-2-1-3-7-19/h1-3,6-11,14-15H,4-5,12-13H2,(H,28,29,31)/b20-14+