3-[[2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-(4-morpholinylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]thio]methyl]benzonitrile Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)SCC5=CC=CC(=C5)C#N

Isomeric SMILES

C1COCCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)SCC5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H22N4OS2/c26-14-18-5-4-6-19(13-18)16-31-24-23-21(20-7-2-1-3-8-20)17-32-25(23)28-22(27-24)15-29-9-11-30-12-10-29/h1-8,13,17H,9-12,15-16H2