[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate

Systemtic Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate Openeye Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4,6-dimethyl-2-(1-phenylhexylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)C3=CC=CC=C3C)C

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)C3=CC=CC=C3C)C

InChI

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