[5-butyl-2-(dimethylamino)-6-methyl-pyrimidin-4-yl] benzoate

Systemtic Name: [5-butyl-2-(dimethylamino)-6-methyl-pyrimidin-4-yl] benzoate Openeye Name: [5-butyl-2-(dimethylamino)-6-methyl-pyrimidin-4-yl] benzoate CAS Name: benzoic acid [5-butyl-2-(dimethylamino)-6-methyl-4-pyrimidinyl] ester IUPAC Name: [5-butyl-2-(dimethylamino)-6-methylpyrimidin-4-yl] benzoate Traditional Name: benzoic acid [5-butyl-2-(dimethylamino)-6-methyl-pyrimidin-4-yl] ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1OC(=O)C2=CC=CC=C2)N(C)C)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1OC(=O)C2=CC=CC=C2)N(C)C)C

InChI

InChI=1S/C18H23N3O2/c1-5-6-12-15-13(2)19-18(21(3)4)20-16(15)23-17(22)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3