4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde

Systemtic Name: 4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde Openeye Name: 4-(2-chlorophenyl)-6-(1-ethylpropylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(2-chlorophenyl)-2-(methylthio)-6-(pentan-3-ylamino)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidine-5-carbaldehyde Traditional Name: 4-(2-chlorophenyl)-6-(1-ethylpropylamino)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC(=C1C=O)C2=CC=CC=C2Cl)SC

Isomeric SMILES

CCC(CC)NC1=NC(=NC(=C1C=O)C2=CC=CC=C2Cl)SC

InChI

InChI=1S/C17H20ClN3OS/c1-4-11(5-2)19-16-13(10-22)15(20-17(21-16)23-3)12-8-6-7-9-14(12)18/h6-11H,4-5H2,1-3H3,(H,19,20,21)