ethyl 4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(cycloheptylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cycloheptylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(cycloheptylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2CCCCCC2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2CCCCCC2)SC

InChI

InChI=1S/C15H23N3O2S/c1-3-20-14(19)12-10-16-15(21-2)18-13(12)17-11-8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,16,17,18)