2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)pyrimidine-5-carbonitrile Formula: C18H10FN5S MolecularWeight: 347.368903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=C(C(=N3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=C(C(=N3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C18H10FN5S/c19-13-7-5-11(6-8-13)16-12(9-20)10-21-17(23-16)24-18-22-14-3-1-2-4-15(14)25-18/h1-8,10H,(H,21,22,23,24)