[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C14H13ClN4O4S2 MolecularWeight: 400.86042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C14H13ClN4O4S2/c1-6(11(21)19-12-7(10(16)20)3-4-25-12)23-13(22)9-8(15)5-17-14(18-9)24-2/h3-6H,1-2H3,(H2,16,20)(H,19,21)