6-[(4-bromophenyl)methylamino]-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 6-[(4-bromophenyl)methylamino]-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-benzyl-6-[(4-bromophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile CAS Name: 6-[(4-bromophenyl)methylamino]-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-benzyl-6-[(4-bromophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-benzyl-6-[(4-bromobenzyl)amino]-7,8-dihydropurine-2-carbonitrile Formula: C20H17BrN6 MolecularWeight: 421.29318

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC3=CC=CC=C3)N=C(N=C2NCC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1NC2=C(N1CC3=CC=CC=C3)N=C(N=C2NCC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C20H17BrN6/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/h1-9,24H,11-13H2,(H,23,25,26)