4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde Openeye Name: 4-(1-ethylpropylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(4-fluoro-2-methylphenyl)-2-(methylthio)-6-(pentan-3-ylamino)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde Traditional Name: 4-(1-ethylpropylamino)-6-(4-fluoro-2-methyl-phenyl)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C18H22FN3OS MolecularWeight: 347.450183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3OS/c1-5-13(6-2)20-17-15(10-23)16(21-18(22-17)24-4)14-8-7-12(19)9-11(14)3/h7-10,13H,5-6H2,1-4H3,(H,20,21,22)