N2-(3-ethynylphenyl)-N4-quinolin-6-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-ethynylphenyl)-N4-quinolin-6-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-ethynylphenyl)-N4-(6-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-(3-ethynylphenyl)-N4-(6-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-ethynylphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine Traditional Name: [2-(3-ethynylanilino)pyrimidin-4-yl]-(6-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=C(C=C3)N=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CC=C4

InChI

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