4-[6-chloranyl-2-[methyl(phenyl)amino]purin-9-yl]butan-1-ol

Systemtic Name: 4-[6-chloranyl-2-[methyl(phenyl)amino]purin-9-yl]butan-1-ol Openeye Name: 4-[6-chloro-2-(N-methylanilino)purin-9-yl]butan-1-ol CAS Name: 4-[6-chloro-2-(N-methylanilino)-9-purinyl]-1-butanol IUPAC Name: 4-[6-chloro-2-(N-methylanilino)purin-9-yl]butan-1-ol Traditional Name: 4-[6-chloro-2-(N-methylanilino)purin-9-yl]butan-1-ol Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC3=C(C(=N2)Cl)N=CN3CCCCO

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC3=C(C(=N2)Cl)N=CN3CCCCO

InChI

InChI=1S/C16H18ClN5O/c1-21(12-7-3-2-4-8-12)16-19-14(17)13-15(20-16)22(11-18-13)9-5-6-10-23/h2-4,7-8,11,23H,5-6,9-10H2,1H3