ethyl 2-[4-chloranyl-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[4-chloro-2-(3,4,5-trimethoxyanilino)pyrimidin-5-yl]acetate CAS Name: 2-[4-chloro-2-(3,4,5-trimethoxyanilino)-5-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-2-(3,4,5-trimethoxyanilino)pyrimidin-5-yl]acetate Traditional Name: 2-[4-chloro-2-(3,4,5-trimethoxyanilino)pyrimidin-5-yl]acetic acid ethyl ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(N=C1Cl)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)CC1=CN=C(N=C1Cl)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H20ClN3O5/c1-5-26-14(22)6-10-9-19-17(21-16(10)18)20-11-7-12(23-2)15(25-4)13(8-11)24-3/h7-9H,5-6H2,1-4H3,(H,19,20,21)