3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[(4,6-dimorpholino-s-triazin-2-yl)amino]-3-(p-tolyl)propionic acid Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H28N6O4/c1-15-2-4-16(5-3-15)17(14-18(28)29)22-19-23-20(26-6-10-30-11-7-26)25-21(24-19)27-8-12-31-13-9-27/h2-5,17H,6-14H2,1H3,(H,28,29)(H,22,23,24,25)