3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 3-[4-(2-thienylmethylamino)pyrimidin-5-yl]benzonitrile CAS Name: 3-[4-(thiophen-2-ylmethylamino)-5-pyrimidinyl]benzonitrile IUPAC Name: 3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]benzonitrile Traditional Name: 3-[4-(2-thenylamino)pyrimidin-5-yl]benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CN=CN=C2NCC3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CN=CN=C2NCC3=CC=CS3)C#N

InChI

InChI=1S/C16H12N4S/c17-8-12-3-1-4-13(7-12)15-10-18-11-20-16(15)19-9-14-5-2-6-21-14/h1-7,10-11H,9H2,(H,18,19,20)