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

Systemtic Name: 4-[[5-(thiophen-2-ylmethylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(2-thienylmethylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-(thiophen-2-ylmethylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-(thiophen-2-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(2-thenylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC2=CN=C(N=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)CNC2=CN=C(N=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13N5S/c17-8-12-3-5-13(6-4-12)21-16-19-9-14(10-20-16)18-11-15-2-1-7-22-15/h1-7,9-10,18H,11H2,(H,19,20,21)