ethyl 4-azanyl-2-(3-nitropyridin-2-yl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-nitropyridin-2-yl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-nitro-2-pyridyl)sulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-nitro-2-pyridinyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-nitropyridin-2-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-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=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

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