[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C)OCC

InChI

InChI=1S/C24H27N3O4/c1-4-6-13-30-21-12-7-18(15-22(21)29-5-2)24(28)31-20-10-8-19(9-11-20)27-23-14-17(3)25-16-26-23/h7-12,14-16H,4-6,13H2,1-3H3,(H,25,26,27)