7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(2-pyridylmethoxy)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-pyridinylmethoxy)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylmethoxy)purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(2-pyridylmethoxy)purin-6-one Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OCC4=CC=CC=N4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OCC4=CC=CC=N4

InChI

InChI=1S/C20H23N7O2/c1-3-4-11-27-16-17(23-19(27)26-12-9-21-10-13-26)24-20(25(2)18(16)28)29-14-15-7-5-6-8-22-15/h5-8,21H,9-14H2,1-2H3