4-[[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[[2-[(2,4-dimethoxybenzyl)amino]-6-methyl-pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC2=C(C=C(C=C2)OC)OC)NCC3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NCC2=C(C=C(C=C2)OC)OC)NCC3CCN(CC3)C(=O)O

InChI

InChI=1S/C21H29N5O4/c1-14-10-19(22-12-15-6-8-26(9-7-15)21(27)28)25-20(24-14)23-13-16-4-5-17(29-2)11-18(16)30-3/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,27,28)(H2,22,23,24,25)