[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N=C(N=C1SC)C2=CC=CO2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N=C(N=C1SC)C2=CC=CO2)C

InChI

InChI=1S/C18H23N3O4S/c1-5-12(6-2)20-14(22)10-25-18(23)15-11(3)19-16(21-17(15)26-4)13-8-7-9-24-13/h7-9,12H,5-6,10H2,1-4H3,(H,20,22)