9-prop-2-ynyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine

Systemtic Name: 9-prop-2-ynyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine Openeye Name: 9-prop-2-ynyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine CAS Name: 9-prop-2-ynyl-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-ynyl]-6-purinamine IUPAC Name: 9-prop-2-ynyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine Traditional Name: [9-propargyl-2-[3-[4-(2-pyrimidyl)piperazino]prop-1-ynyl]purin-6-yl]amine Formula: C19H19N9 MolecularWeight: 373.41446

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H19N9/c1-2-8-28-14-23-16-17(20)24-15(25-18(16)28)5-3-9-26-10-12-27(13-11-26)19-21-6-4-7-22-19/h1,4,6-7,14H,8-13H2,(H2,20,24,25)