ethyl 4-azanyl-2-[2-[4,5-bis(chloranyl)thiophen-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[4,5-bis(chloranyl)thiophen-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4,5-dichloro-2-thienyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4,5-dichloro-2-thiophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4,5-dichlorothiophen-2-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4,5-dichloro-2-thienyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H11Cl2N3O3S2 MolecularWeight: 392.28074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(S2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(S2)Cl)Cl

InChI

InChI=1S/C13H11Cl2N3O3S2/c1-2-21-12(20)6-4-17-13(18-11(6)16)22-5-8(19)9-3-7(14)10(15)23-9/h3-4H,2,5H2,1H3,(H2,16,17,18)