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

Systemtic Name: 9-cyclopentyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine Openeye Name: 9-cyclopentyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine CAS Name: 9-cyclopentyl-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-ynyl]-6-purinamine IUPAC Name: 9-cyclopentyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-ynyl]purin-6-amine Traditional Name: [9-cyclopentyl-2-[3-[4-(2-pyrimidyl)piperazino]prop-1-ynyl]purin-6-yl]amine Formula: C21H25N9 MolecularWeight: 403.4835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H25N9/c22-19-18-20(30(15-25-18)16-5-1-2-6-16)27-17(26-19)7-3-10-28-11-13-29(14-12-28)21-23-8-4-9-24-21/h4,8-9,15-16H,1-2,5-6,10-14H2,(H2,22,26,27)