methyl 4-[[1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethylamino]methyl]benzoate Openeye Name: methyl 4-[[1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethylamino]methyl]benzoate CAS Name: 4-[[1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethylamino]methyl]benzoate Traditional Name: 4-[[1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1C(C)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H22N4O2/c1-14(23-12-16-4-6-18(7-5-16)21(26)27-3)19-13-24-20(25-15(19)2)17-8-10-22-11-9-17/h4-11,13-14,23H,12H2,1-3H3