8-bromanyl-9-(phenylmethyl)-2-(phenylmethylsulfanyl)purin-6-amine

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-2-(phenylmethylsulfanyl)purin-6-amine Openeye Name: 9-benzyl-2-benzylsulfanyl-8-bromo-purin-6-amine CAS Name: 8-bromo-9-(phenylmethyl)-2-(phenylmethylthio)-6-purinamine IUPAC Name: 9-benzyl-2-benzylsulfanyl-8-bromopurin-6-amine Traditional Name: [9-benzyl-2-(benzylthio)-8-bromo-purin-6-yl]amine Formula: C19H16BrN5S MolecularWeight: 426.33284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C19H16BrN5S/c20-18-22-15-16(21)23-19(26-12-14-9-5-2-6-10-14)24-17(15)25(18)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,21,23,24)