4-(cyclopropylamino)-6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-(cyclopropylamino)-6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(cyclopropylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(cyclopropylamino)-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(cyclopropylamino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(cyclopropylamino)-6-(4-fluoro-2-methyl-phenyl)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C(C(=NC(=N2)SC)NC3CC3)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C(C(=NC(=N2)SC)NC3CC3)C=O

InChI

InChI=1S/C16H16FN3OS/c1-9-7-10(17)3-6-12(9)14-13(8-21)15(18-11-4-5-11)20-16(19-14)22-2/h3,6-8,11H,4-5H2,1-2H3,(H,18,19,20)