6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethynyl)pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-2-(2-phenylethynyl)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H23N7 MolecularWeight: 373.45422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H23N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-7,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)