[4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate

Systemtic Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate Openeye Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4,6-dimethyl-2-(2-phenylhexylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C2=CC=CC=C2C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C2=CC=CC=C2C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O2/c1-5-6-13-22(21-14-8-7-9-15-21)17-27-26-28-19(3)24(20(4)29-26)31-25(30)23-16-11-10-12-18(23)2/h7-12,14-16,22H,5-6,13,17H2,1-4H3,(H,27,28,29)