4-[(4-fluorophenyl)amino]-2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)amino]-2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-fluoroanilino)-6-(3-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-fluoroanilino)-2-(phenylmethylthio)-6-(3-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-fluoroanilino)-6-pyridin-3-ylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-fluoroanilino)-6-(3-pyridyl)pyrimidine-5-carbonitrile Formula: C23H16FN5S MolecularWeight: 413.470043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)C#N)C4=CN=CC=C4

InChI

InChI=1S/C23H16FN5S/c24-18-8-10-19(11-9-18)27-22-20(13-25)21(17-7-4-12-26-14-17)28-23(29-22)30-15-16-5-2-1-3-6-16/h1-12,14H,15H2,(H,27,28,29)