ethyl 2-[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[1-(4-acetamidophenyl)-1-oxopropan-2-yl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-acetamidophenyl)-1-oxopropan-2-yl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H20N4O4S/c1-4-26-17(25)14-9-20-18(22-16(14)19)27-10(2)15(24)12-5-7-13(8-6-12)21-11(3)23/h5-10H,4H2,1-3H3,(H,21,23)(H2,19,20,22)