ethyl 4-azanyl-2-(5-nitropyridin-2-yl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(5-nitropyridin-2-yl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-nitro-2-pyridyl)sulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(5-nitro-2-pyridinyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(5-nitropyridin-2-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(5-nitro-2-pyridyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-2-21-11(18)8-6-15-12(16-10(8)13)22-9-4-3-7(5-14-9)17(19)20/h3-6H,2H2,1H3,(H2,13,15,16)