6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-(5-fluoro-2-methoxy-benzyl)piperazino]-7H-purine Formula: C17H19FN6O MolecularWeight: 342.370763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H19FN6O/c1-25-14-3-2-13(18)8-12(14)9-23-4-6-24(7-5-23)17-15-16(20-10-19-15)21-11-22-17/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,20,21,22)