4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenol

Systemtic Name: 4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenol Openeye Name: 4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenol CAS Name: 4-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]phenol IUPAC Name: 4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]phenol Traditional Name: 4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenol Formula: C16H18BrN5O2 MolecularWeight: 392.25042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)O)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)O)Br

InChI

InChI=1S/C16H18BrN5O2/c1-2-3-8-24-16-20-13(18)12-14(21-16)22(15(17)19-12)9-10-4-6-11(23)7-5-10/h4-7,23H,2-3,8-9H2,1H3,(H2,18,20,21)