8-bromanyl-2-(3-methylbutylsulfanyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-(3-methylbutylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-isopentylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(3-methylbutylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-(3-methylbutylsulfanyl)purin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(isoamylthio)purin-6-yl]amine Formula: C17H20BrN5S MolecularWeight: 406.3432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H20BrN5S/c1-11(2)8-9-24-17-21-14(19)13-15(22-17)23(16(18)20-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,19,21,22)