4-azanyl-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]pyrimidine-5-carbonitrile Formula: C16H12FN5OS MolecularWeight: 341.362783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CSC2=NC=C(C(=N2)N)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1CSC2=NC=C(C(=N2)N)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FN5OS/c1-9-13(8-24-16-20-7-11(6-18)15(19)21-16)22-23-14(9)10-2-4-12(17)5-3-10/h2-5,7H,8H2,1H3,(H2,19,20,21)