[3-[(6-methylpyrimidin-4-yl)amino]phenyl] butanoate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butanoate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butanoate CAS Name: butanoic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butanoate Traditional Name: butyric acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C

InChI

InChI=1S/C15H17N3O2/c1-3-5-15(19)20-13-7-4-6-12(9-13)18-14-8-11(2)16-10-17-14/h4,6-10H,3,5H2,1-2H3,(H,16,17,18)