6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-7H-purine

Systemtic Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-7H-purine Openeye Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-7H-purine CAS Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-7H-purine IUPAC Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-7H-purine Traditional Name: 6-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-7H-purine Formula: C17H19FN6 MolecularWeight: 326.371363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H19FN6/c18-14-4-2-13(3-5-14)10-23-6-1-7-24(9-8-23)17-15-16(20-11-19-15)21-12-22-17/h2-5,11-12H,1,6-10H2,(H,19,20,21,22)