4-[[6-methyl-2-(phenylmethyl)pyrimidin-4-yl]amino]butanoate

Systemtic Name: 4-[[6-methyl-2-(phenylmethyl)pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[(2-benzyl-6-methyl-pyrimidin-4-yl)amino]butanoate CAS Name: 4-[[6-methyl-2-(phenylmethyl)-4-pyrimidinyl]amino]butanoate IUPAC Name: 4-[(2-benzyl-6-methylpyrimidin-4-yl)amino]butanoate Traditional Name: 4-[(2-benzyl-6-methyl-pyrimidin-4-yl)amino]butyrate Formula: C16H18N3O2- MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CC2=CC=CC=C2)NCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)CC2=CC=CC=C2)NCCCC(=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-12-10-14(17-9-5-8-16(20)21)19-15(18-12)11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,20,21)(H,17,18,19)/p-1