2-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylthio]methyl]benzonitrile Formula: C22H18N4S2 MolecularWeight: 402.53512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H18N4S2/c23-13-17-8-4-5-9-18(17)14-27-11-10-24-21-19-12-20(16-6-2-1-3-7-16)28-22(19)26-15-25-21/h1-9,12,15H,10-11,14H2,(H,24,25,26)