ethyl 4-[[3-(ethylcarbamothioyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(ethylcarbamothioyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(ethylcarbamothioyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[ethylamino(sulfanylidene)methoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(ethylcarbamothioyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(ethylthiocarbamoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)OC1=CC=CC(=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCNC(=S)OC1=CC=CC(=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C17H20N4O3S2/c1-4-18-17(25)24-12-8-6-7-11(9-12)20-14-13(15(22)23-5-2)10-19-16(21-14)26-3/h6-10H,4-5H2,1-3H3,(H,18,25)(H,19,20,21)