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

Systemtic Name: ethyl 4-azanyl-2-[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-1-methyl-2-(p-anisidino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20N4O4S/c1-4-25-16(23)13-9-19-17(21-14(13)18)26-10(2)15(22)20-11-5-7-12(24-3)8-6-11/h5-10H,4H2,1-3H3,(H,20,22)(H2,18,19,21)