ethyl 2-methylsulfanyl-4-[[4-(prop-2-enylcarbamothioyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(prop-2-enylcarbamothioyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(allylcarbamothioyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[(prop-2-enylamino)-sulfanylidenemethoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(prop-2-enylcarbamothioyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 4-[4-(allylthiocarbamoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=S)NCC=C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=S)NCC=C)SC

InChI

InChI=1S/C18H20N4O3S2/c1-4-10-19-18(26)25-13-8-6-12(7-9-13)21-15-14(16(23)24-5-2)11-20-17(22-15)27-3/h4,6-9,11H,1,5,10H2,2-3H3,(H,19,26)(H,20,21,22)