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

Systemtic Name: 8-bromanyl-2-pentylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-pentylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(pentylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-pentylsulfanylpurin-6-amine Traditional Name: [2-(amylthio)-9-benzyl-8-bromo-purin-6-yl]amine Formula: C17H20BrN5S MolecularWeight: 406.3432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H20BrN5S/c1-2-3-7-10-24-17-21-14(19)13-15(22-17)23(16(18)20-13)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H2,19,21,22)