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

Systemtic Name: ethyl 4-azanyl-2-[2-[(5-ethanoyl-3-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(5-acetyl-3-methoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-[(5-acetyl-3-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-acetyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-[(5-acetyl-3-carbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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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(=O)C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S2/c1-5-28-16(25)10-6-20-18(22-14(10)19)29-7-11(24)21-15-12(17(26)27-4)8(2)13(30-15)9(3)23/h6H,5,7H2,1-4H3,(H,21,24)(H2,19,20,22)