ethyl 4-azanyl-2-[2-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-methoxy-5-methyl-phenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-methoxy-5-methyl-phenyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-4-24-16(22)12-8-19-17(20-15(12)18)25-9-13(21)11-7-10(2)5-6-14(11)23-3/h5-8H,4,9H2,1-3H3,(H2,18,19,20)