ethyl 4-azanyl-2-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C17H20N4O5S2/c1-5-26-15(23)10-6-19-17(21-13(10)18)27-7-11(22)20-14-12(16(24)25-4)8(2)9(3)28-14/h6H,5,7H2,1-4H3,(H,20,22)(H2,18,19,21)