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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

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