4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(1-azepanyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(azepan-1-yl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(azepan-1-yl)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCCCCC2)C=O

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCCCCC2)C=O

InChI

InChI=1S/C12H17N3OS/c1-17-12-13-8-10(9-16)11(14-12)15-6-4-2-3-5-7-15/h8-9H,2-7H2,1H3