4-[[[9-(4-chloranylbutyl)purin-6-yl]amino]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[[9-(4-chloranylbutyl)purin-6-yl]amino]methyl]-2-methoxy-phenol Openeye Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2-methoxy-phenol CAS Name: 4-[[[9-(4-chlorobutyl)-6-purinyl]amino]methyl]-2-methoxyphenol IUPAC Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2-methoxyphenol Traditional Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2-methoxy-phenol Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC=NC3=C2N=CN3CCCCCl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC=NC3=C2N=CN3CCCCCl)O

InChI

InChI=1S/C17H20ClN5O2/c1-25-14-8-12(4-5-13(14)24)9-19-16-15-17(21-10-20-16)23(11-22-15)7-3-2-6-18/h4-5,8,10-11,24H,2-3,6-7,9H2,1H3,(H,19,20,21)