N2-(3-ethynylphenyl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-ethynylphenyl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-ethynylphenyl)-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-(3-ethynylphenyl)-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-ethynylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-(3-ethynylanilino)pyrimidin-4-yl]-(3-quinolyl)amine Formula: C21H15N5 MolecularWeight: 337.3773

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H15N5/c1-2-15-6-5-8-17(12-15)25-21-22-11-10-20(26-21)24-18-13-16-7-3-4-9-19(16)23-14-18/h1,3-14H,(H2,22,24,25,26)