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

Systemtic Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-6-[[(1S)-1-methylpropyl]amino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-6-[[(1S)-1-methylpropyl]amino]-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C17H20FN3OS MolecularWeight: 333.423603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=C1C=O)C2=C(C=C(C=C2)F)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3OS/c1-5-11(3)19-16-14(9-22)15(20-17(21-16)23-4)13-7-6-12(18)8-10(13)2/h6-9,11H,5H2,1-4H3,(H,19,20,21)/t11-/m0/s1