ethyl 4-azanyl-2-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[5-carbethoxy-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22ClN5O5S MolecularWeight: 491.94788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H22ClN5O5S/c1-3-31-18(28)13-9-24-21(27-17(13)23)33-10-14-15(19(29)32-4-2)16(26-20(30)25-14)11-5-7-12(22)8-6-11/h5-9,16H,3-4,10H2,1-2H3,(H2,23,24,27)(H2,25,26,30)