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

Systemtic Name: 7-but-2-ynyl-1-methyl-2-[methyl(pyridin-2-yl)amino]-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-[methyl(2-pyridyl)amino]-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[methyl(2-pyridinyl)amino]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-[methyl(pyridin-2-yl)amino]-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-[methyl(2-pyridyl)amino]-8-piperazino-purin-6-one Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)N(C)C4=CC=CC=N4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)N(C)C4=CC=CC=N4

InChI

InChI=1S/C20H24N8O/c1-4-5-12-28-16-17(24-20(28)27-13-10-21-11-14-27)23-19(26(3)18(16)29)25(2)15-8-6-7-9-22-15/h6-9,21H,10-14H2,1-3H3