ethyl 4-azanyl-2-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H14ClN5O2S MolecularWeight: 327.78986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC=C(N2C)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC=C(N2C)Cl

InChI

InChI=1S/C12H14ClN5O2S/c1-3-20-11(19)7-4-16-12(17-10(7)14)21-6-9-15-5-8(13)18(9)2/h4-5H,3,6H2,1-2H3,(H2,14,16,17)