[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H23ClN4O4S MolecularWeight: 438.92832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C19H23ClN4O4S/c1-29-18-21-8-13(20)15(23-18)16(26)28-9-14(25)22-17(27)24-19-5-10-2-11(6-19)4-12(3-10)7-19/h8,10-12H,2-7,9H2,1H3,(H2,22,24,25,27)