benzene; 2-(3-ethynylpyridin-2-yl)-4-methyl-pyrimidine

Systemtic Name: benzene; 2-(3-ethynylpyridin-2-yl)-4-methyl-pyrimidine Openeye Name: benzene; 2-(3-ethynyl-2-pyridyl)-4-methyl-pyrimidine CAS Name: benzene; 2-(3-ethynyl-2-pyridinyl)-4-methylpyrimidine IUPAC Name: benzene; 2-(3-ethynylpyridin-2-yl)-4-methylpyrimidine Traditional Name: benzene; 2-(3-ethynyl-2-pyridyl)-4-methyl-pyrimidine Formula: C18H15N3 MolecularWeight: 273.3318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C2=C(C=CC=N2)C#C.C1=CC=CC=C1

Isomeric SMILES

CC1=NC(=NC=C1)C2=C(C=CC=N2)C#C.C1=CC=CC=C1

InChI

InChI=1S/C12H9N3.C6H6/c1-3-10-5-4-7-13-11(10)12-14-8-6-9(2)15-12;1-2-4-6-5-3-1/h1,4-8H,2H3;1-6H