4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(cycloheptylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(cycloheptylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(cycloheptylamino)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2CCCCCC2)C=O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2CCCCCC2)C=O

InChI

InChI=1S/C13H19N3OS/c1-18-13-14-8-10(9-17)12(16-13)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,14,15,16)