[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-4-13(5-2)17(21)22-15-8-6-14(7-9-15)20-16-10-12(3)18-11-19-16/h6-11,13H,4-5H2,1-3H3,(H,18,19,20)