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

Systemtic Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(7H-purin-6-yl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(7H-purin-6-yl)piperazino]phenyl]ethanone Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H18N6O/c1-12(24)13-2-4-14(5-3-13)22-6-8-23(9-7-22)17-15-16(19-10-18-15)20-11-21-17/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,21)