ethyl 2-chloranyl-4-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(1-benzyl-2-ethoxy-2-oxo-ethyl)amino]-2-chloro-pyrimidine-5-carboxylate CAS Name: 2-chloro-4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-2-chloro-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(CC2=CC=CC=C2)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(CC2=CC=CC=C2)C(=O)OCC)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-3-25-16(23)13-11-20-18(19)22-15(13)21-14(17(24)26-4-2)10-12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H,20,21,22)