ethyl 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(1-imidazolyl)propylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCCN2C=CN=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCCN2C=CN=C2)SC

InChI

InChI=1S/C14H19N5O2S/c1-3-21-13(20)11-9-17-14(22-2)18-12(11)16-5-4-7-19-8-6-15-10-19/h6,8-10H,3-5,7H2,1-2H3,(H,16,17,18)