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

Systemtic Name: 4-(cyclopropylmethylamino)-6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(cyclopropylmethylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(cyclopropylmethylamino)-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(cyclopropylmethylamino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(cyclopropylmethylamino)-6-(4-fluoro-2-methyl-phenyl)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C(C(=NC(=N2)SC)NCC3CC3)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C(C(=NC(=N2)SC)NCC3CC3)C=O

InChI

InChI=1S/C17H18FN3OS/c1-10-7-12(18)5-6-13(10)15-14(9-22)16(19-8-11-3-4-11)21-17(20-15)23-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,19,20,21)