ethyl 2-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-4-thiophen-3-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-4-thiophen-3-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-4-(3-thienyl)pyrimidine-5-carboxylate CAS Name: 2-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-4-(3-thiophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-thiophen-3-ylpyrimidine-5-carboxylate Traditional Name: 2-(citraconimidoamino)-4-(3-thienyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CSC=C2)NN3C(=O)C=C(C3=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CSC=C2)NN3C(=O)C=C(C3=O)C

InChI

InChI=1S/C16H14N4O4S/c1-3-24-15(23)11-7-17-16(18-13(11)10-4-5-25-8-10)19-20-12(21)6-9(2)14(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)