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

Systemtic Name: tert-butyl 2-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-4-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: tert-butyl 2-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-4-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 2-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-4-thiophen-2-yl-5-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 2-(citraconimidoamino)-4-(2-thienyl)pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=NC=C(C(=N2)C3=CC=CS3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=NC=C(C(=N2)C3=CC=CS3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H18N4O4S/c1-10-8-13(23)22(15(10)24)21-17-19-9-11(16(25)26-18(2,3)4)14(20-17)12-6-5-7-27-12/h5-9H,1-4H3,(H,19,20,21)