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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=NC(=NC=C2)C(=O)OCCCl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2=NC(=NC=C2)C(=O)OCCCl

InChI

InChI=1S/C18H20ClN3O4/c1-2-25-17(23)14(12-13-6-4-3-5-7-13)21-15-8-10-20-16(22-15)18(24)26-11-9-19/h3-8,10,14H,2,9,11-12H2,1H3,(H,20,21,22)