2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[5-[tert-butyl(methyl)amino]-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C1=CN=CN=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)N(C)C1=CN=CN=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C21H29N5O4/c1-21(2,3)26(6)17-12-22-13-23-18(17)24-16(19(27)28)11-14-7-9-15(10-8-14)30-20(29)25(4)5/h7-10,12-13,16H,11H2,1-6H3,(H,27,28)(H,22,23,24)