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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC=CC(=N2)NCC3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC=CC(=N2)NCC3=CC=CS3)C#N

InChI

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