1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]piperazino]ethanone Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)NC5CC5)NC=N4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)NC5CC5)NC=N4

InChI

InChI=1S/C20H24N8O/c1-13(29)27-8-10-28(11-9-27)16-6-4-15(5-7-16)24-20-25-18-17(21-12-22-18)19(26-20)23-14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H3,21,22,23,24,25,26)