ethyl 4-azanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-2-21-12(18)9-7-15-13(16-11(9)14)23-6-5-8-3-4-10(22-8)17(19)20/h3-7H,2H2,1H3,(H2,14,15,16)/b6-5+