[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C18H20ClN3O5S/c1-10(27-17(24)15-12(19)9-21-18(22-15)28-4)16(23)20-8-11-5-6-13(25-2)14(7-11)26-3/h5-7,9-10H,8H2,1-4H3,(H,20,23)