8-bromanyl-2-naphthalen-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-naphthalen-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-(2-naphthylsulfanyl)purin-6-amine CAS Name: 8-bromo-2-(2-naphthalenylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-naphthalen-2-ylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(2-naphthylthio)purin-6-yl]amine Formula: C22H16BrN5S MolecularWeight: 462.36494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC5=CC=CC=C5C=C4)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC5=CC=CC=C5C=C4)N)N=C2Br

InChI

InChI=1S/C22H16BrN5S/c23-21-25-18-19(24)26-22(27-20(18)28(21)13-14-6-2-1-3-7-14)29-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,24,26,27)