4-azanyl-2-[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H11FN4OS MolecularWeight: 302.326743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FN4OS/c1-8(12(20)9-2-4-11(15)5-3-9)21-14-18-7-10(6-16)13(17)19-14/h2-5,7-8H,1H3,(H2,17,18,19)/t8-/m0/s1