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

Systemtic Name: 4-[[[9-(4-chloranylbutyl)purin-6-yl]amino]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[[9-(4-chlorobutyl)-6-purinyl]amino]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2,6-dimethylphenol Traditional Name: 4-[[[9-(4-chlorobutyl)purin-6-yl]amino]methyl]-2,6-dimethyl-phenol Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=NC=NC3=C2N=CN3CCCCCl

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=NC=NC3=C2N=CN3CCCCCl

InChI

InChI=1S/C18H22ClN5O/c1-12-7-14(8-13(2)16(12)25)9-20-17-15-18(22-10-21-17)24(11-23-15)6-4-3-5-19/h7-8,10-11,25H,3-6,9H2,1-2H3,(H,20,21,22)