ethyl 4-azanyl-2-[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-5-27-17(24)14-9-20-18(22-15(14)19)28-10(2)16(23)21-11-6-12(25-3)8-13(7-11)26-4/h6-10H,5H2,1-4H3,(H,21,23)(H2,19,20,22)