6-[(4-bromophenyl)methylamino]-9-(3-phenylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-bromophenyl)methylamino]-9-(3-phenylpropyl)purine-2-carbonitrile Openeye Name: 6-[(4-bromophenyl)methylamino]-9-(3-phenylpropyl)purine-2-carbonitrile CAS Name: 6-[(4-bromophenyl)methylamino]-9-(3-phenylpropyl)-2-purinecarbonitrile IUPAC Name: 6-[(4-bromophenyl)methylamino]-9-(3-phenylpropyl)purine-2-carbonitrile Traditional Name: 6-[(4-bromobenzyl)amino]-9-(3-phenylpropyl)purine-2-carbonitrile Formula: C22H19BrN6 MolecularWeight: 447.33046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C22H19BrN6/c23-18-10-8-17(9-11-18)14-25-21-20-22(28-19(13-24)27-21)29(15-26-20)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12,14H2,(H,25,27,28)