3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]benzonitrile CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]benzonitrile IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzonitrile Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]benzonitrile Formula: C21H16N4S MolecularWeight: 356.44354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C#N)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C#N)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H16N4S/c1-13-17-11-15(9-14-3-2-4-16(10-14)12-22)5-6-19(17)26-20(13)18-7-8-24-21(23)25-18/h2-8,10-11H,9H2,1H3,(H2,23,24,25)