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9-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]purine
9-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]purine
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Descriptors Computed from Structure
Canonical SMILES:
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3C=NC4=CN=CN=C43
Isomeric SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3C=NC4=CN=CN=C43
InChI
InChI=1S/C23H34N8/c1-7-24-10-11-25-9-2-13-30(14-12-26-8-1)16-20-3-5-21(6-4-20)17-31-19-29-22-15-27-18-28-23(22)31/h3-6,15,18-19,24-26H,1-2,7-14,16-17H2
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