N-[(4-bromophenyl)methyl]-9-butyl-2-chloranyl-purin-6-amine

Systemtic Name: N-[(4-bromophenyl)methyl]-9-butyl-2-chloranyl-purin-6-amine Openeye Name: N-[(4-bromophenyl)methyl]-9-butyl-2-chloro-purin-6-amine CAS Name: N-[(4-bromophenyl)methyl]-9-butyl-2-chloro-6-purinamine IUPAC Name: N-[(4-bromophenyl)methyl]-9-butyl-2-chloropurin-6-amine Traditional Name: (4-bromobenzyl)-(9-butyl-2-chloro-purin-6-yl)amine Formula: C16H17BrClN5 MolecularWeight: 394.69668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C16H17BrClN5/c1-2-3-8-23-10-20-13-14(21-16(18)22-15(13)23)19-9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,19,21,22)