6-[(4-bromophenyl)methylamino]-9-butyl-purine-2-carbonitrile

Systemtic Name: 6-[(4-bromophenyl)methylamino]-9-butyl-purine-2-carbonitrile Openeye Name: 6-[(4-bromophenyl)methylamino]-9-butyl-purine-2-carbonitrile CAS Name: 6-[(4-bromophenyl)methylamino]-9-butyl-2-purinecarbonitrile IUPAC Name: 6-[(4-bromophenyl)methylamino]-9-butylpurine-2-carbonitrile Traditional Name: 6-[(4-bromobenzyl)amino]-9-butyl-purine-2-carbonitrile Formula: C17H17BrN6 MolecularWeight: 385.26108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6/c1-2-3-8-24-11-21-15-16(22-14(9-19)23-17(15)24)20-10-12-4-6-13(18)7-5-12/h4-7,11H,2-3,8,10H2,1H3,(H,20,22,23)