3-[[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]propanenitrile

Systemtic Name: 3-[[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]propanenitrile Openeye Name: 3-[[5-(benzothiophen-2-yl)pyrimidin-2-yl]amino]propanenitrile CAS Name: 3-[[5-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]propanenitrile Traditional Name: 3-[[5-(benzothiophen-2-yl)pyrimidin-2-yl]amino]propionitrile Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CN=C(N=C3)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CN=C(N=C3)NCCC#N

InChI

InChI=1S/C15H12N4S/c16-6-3-7-17-15-18-9-12(10-19-15)14-8-11-4-1-2-5-13(11)20-14/h1-2,4-5,8-10H,3,7H2,(H,17,18,19)