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

Systemtic Name: ethyl 2-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-4-(5-methylthiophen-2-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-4-(5-methyl-2-thienyl)pyrimidine-5-carboxylate CAS Name: 2-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-4-(5-methyl-2-thiophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-(5-methylthiophen-2-yl)pyrimidine-5-carboxylate Traditional Name: 2-(citraconimidoamino)-4-(5-methyl-2-thienyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(S2)C)NN3C(=O)C=C(C3=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(S2)C)NN3C(=O)C=C(C3=O)C

InChI

InChI=1S/C17H16N4O4S/c1-4-25-16(24)11-8-18-17(19-14(11)12-6-5-10(3)26-12)20-21-13(22)7-9(2)15(21)23/h5-8H,4H2,1-3H3,(H,18,19,20)