3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methylpyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]amino]propionitrile Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NCCC#N)C2=CC(=CN=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC(=CC(=N1)NCCC#N)C2=CC(=CN=C2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N5S/c1-14-25-18(11-21(26-14)24-8-4-7-22)16-9-17(13-23-12-16)20-10-15-5-2-3-6-19(15)27-20/h2-3,5-6,9-13H,4,8H2,1H3,(H,24,25,26)