ethyl 4-azanyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C11H12N6O4S MolecularWeight: 324.31578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O4S/c1-3-21-10(18)6-4-13-11(15-7(6)12)22-9-8(17(19)20)14-5-16(9)2/h4-5H,3H2,1-2H3,(H2,12,13,15)