4-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(2-fluorophenyl)-6-[[(1S)-1-methylpropyl]amino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(2-fluorophenyl)-6-[[(1S)-1-methylpropyl]amino]-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C16H18FN3OS MolecularWeight: 319.397023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=C1C=O)C2=CC=CC=C2F)SC

Isomeric SMILES

CC[C@H](C)NC1=NC(=NC(=C1C=O)C2=CC=CC=C2F)SC

InChI

InChI=1S/C16H18FN3OS/c1-4-10(2)18-15-12(9-21)14(19-16(20-15)22-3)11-7-5-6-8-13(11)17/h5-10H,4H2,1-3H3,(H,18,19,20)/t10-/m0/s1