3-[[4-[2-azanyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-azanyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[2-amino-4-(4-fluorophenyl)thiazol-5-yl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[2-amino-4-(4-fluorophenyl)-5-thiazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[2-amino-4-(4-fluorophenyl)thiazol-5-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C20H13FN6S MolecularWeight: 388.420823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=C(S3)N)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=C(S3)N)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C20H13FN6S/c21-14-6-4-13(5-7-14)17-18(28-19(23)27-17)16-8-9-24-20(26-16)25-15-3-1-2-12(10-15)11-22/h1-10H,(H2,23,27)(H,24,25,26)