methyl 3-[[5-(tert-butylcarbamoyl)-2-chloranyl-pyrimidin-4-yl]amino]propanoate

Systemtic Name: methyl 3-[[5-(tert-butylcarbamoyl)-2-chloranyl-pyrimidin-4-yl]amino]propanoate Openeye Name: methyl 3-[[5-(tert-butylcarbamoyl)-2-chloro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-[(tert-butylamino)-oxomethyl]-2-chloro-4-pyrimidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(tert-butylcarbamoyl)-2-chloropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[5-(tert-butylcarbamoyl)-2-chloro-pyrimidin-4-yl]amino]propionic acid methyl ester Formula: C13H19ClN4O3 MolecularWeight: 314.76796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN=C(N=C1NCCC(=O)OC)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN=C(N=C1NCCC(=O)OC)Cl

InChI

InChI=1S/C13H19ClN4O3/c1-13(2,3)18-11(20)8-7-16-12(14)17-10(8)15-6-5-9(19)21-4/h7H,5-6H2,1-4H3,(H,18,20)(H,15,16,17)