4-azanyl-2-[(2S)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2S)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1S)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(2S)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2S)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1S)-2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H10F2N4OS MolecularWeight: 320.317206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C[C@@H](C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H10F2N4OS/c1-7(12(21)8-2-3-10(15)11(16)4-8)22-14-19-6-9(5-17)13(18)20-14/h2-4,6-7H,1H3,(H2,18,19,20)/t7-/m0/s1