2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-methyl-butanoic acid CAS Name: 2-[[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-3-methylbutanoic acid Traditional Name: 2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-methyl-butyric acid Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NC(C(C)C)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)C)NC(C(C)C)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2/c1-11(2)16(18(22)23)21-17-15(12(3)19-13(4)20-17)10-14-8-6-5-7-9-14/h5-9,11,16H,10H2,1-4H3,(H,22,23)(H,19,20,21)