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

Systemtic Name: 6-[(4-bromophenyl)methylamino]-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-[(4-bromophenyl)methylamino]purine-2-carbonitrile CAS Name: 6-[(4-bromophenyl)methylamino]-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-[(4-bromophenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-benzyl-6-[(4-bromobenzyl)amino]purine-2-carbonitrile Formula: C20H15BrN6 MolecularWeight: 419.2773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C20H15BrN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(H,23,25,26)