2-methylsulfanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]pyrimidine-5-carbaldehyde

Systemtic Name: 2-methylsulfanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]pyrimidine-5-carbaldehyde Openeye Name: 2-methylsulfanyl-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]pyrimidine-5-carbaldehyde CAS Name: 2-(methylthio)-4-[4-(2-oxanyloxymethyl)anilino]-5-pyrimidinecarboxaldehyde IUPAC Name: 2-methylsulfanyl-4-[4-(oxan-2-yloxymethyl)anilino]pyrimidine-5-carbaldehyde Traditional Name: 2-(methylthio)-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]pyrimidine-5-carbaldehyde Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)COC3CCCCO3)C=O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)COC3CCCCO3)C=O

InChI

InChI=1S/C18H21N3O3S/c1-25-18-19-10-14(11-22)17(21-18)20-15-7-5-13(6-8-15)12-24-16-4-2-3-9-23-16/h5-8,10-11,16H,2-4,9,12H2,1H3,(H,19,20,21)