3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-(2-thienylmethylamino)pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-(thiophen-2-ylmethylamino)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-(2-thenylamino)pyrimidin-4-yl]benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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