4-methyl-2-[[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-pyrimidin-2-yl-amino]methyl]pentanoic acid

Systemtic Name: 4-methyl-2-[[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-pyrimidin-2-yl-amino]methyl]pentanoic acid Openeye Name: 4-methyl-2-[[[2-(p-tolyl)thiazol-4-yl]methyl-pyrimidin-2-yl-amino]methyl]pentanoic acid CAS Name: 4-methyl-2-[[[2-(4-methylphenyl)-4-thiazolyl]methyl-(2-pyrimidinyl)amino]methyl]pentanoic acid IUPAC Name: 4-methyl-2-[[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-pyrimidin-2-ylamino]methyl]pentanoic acid Traditional Name: 4-methyl-2-[[[2-(p-tolyl)thiazol-4-yl]methyl-(2-pyrimidyl)amino]methyl]valeric acid Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN(CC(CC(C)C)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN(CC(CC(C)C)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C22H26N4O2S/c1-15(2)11-18(21(27)28)12-26(22-23-9-4-10-24-22)13-19-14-29-20(25-19)17-7-5-16(3)6-8-17/h4-10,14-15,18H,11-13H2,1-3H3,(H,27,28)