ethyl 4-[(2-benzamido-3-oxidanyl-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-3-oxidanyl-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-benzamido-3-hydroxy-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-benzamido-3-hydroxypropyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-3-hydroxypropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(2-benzamido-3-hydroxy-propyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC(CO)NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC(CO)NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H22N4O4S/c1-3-26-17(25)14-10-20-18(27-2)22-15(14)19-9-13(11-23)21-16(24)12-7-5-4-6-8-12/h4-8,10,13,23H,3,9,11H2,1-2H3,(H,21,24)(H,19,20,22)