N-[(4-ethynylphenyl)methyl]-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethanamine

Systemtic Name: N-[(4-ethynylphenyl)methyl]-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethanamine Openeye Name: N-[(4-ethynylphenyl)methyl]-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethanamine CAS Name: N-[(4-ethynylphenyl)methyl]-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethanamine IUPAC Name: N-[(4-ethynylphenyl)methyl]-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine Traditional Name: (4-ethynylbenzyl)-[1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]amine Formula: C21H20N4 MolecularWeight: 328.4103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NCC2=CC=C(C=C2)C#C)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1C(C)NCC2=CC=C(C=C2)C#C)C3=CC=NC=C3

InChI

InChI=1S/C21H20N4/c1-4-17-5-7-18(8-6-17)13-23-15(2)20-14-24-21(25-16(20)3)19-9-11-22-12-10-19/h1,5-12,14-15,23H,13H2,2-3H3