8-bromanyl-2-butoxy-9-(oxan-2-yl)-N-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-butoxy-9-(oxan-2-yl)-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-8-bromo-2-butoxy-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: 8-bromo-2-butoxy-9-(2-oxanyl)-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-8-bromo-2-butoxy-9-(oxan-2-yl)purin-6-amine Traditional Name: benzyl-(8-bromo-2-butoxy-9-tetrahydropyran-2-yl-purin-6-yl)amine Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C4CCCCO4)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C4CCCCO4)Br

InChI

InChI=1S/C21H26BrN5O2/c1-2-3-12-29-21-25-18(23-14-15-9-5-4-6-10-15)17-19(26-21)27(20(22)24-17)16-11-7-8-13-28-16/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,23,25,26)