2-[[8-azanyl-2-[(2-bromophenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-[(2-bromophenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[[8-amino-2-[(2-bromophenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol CAS Name: 2-[[8-amino-2-[(2-bromophenyl)methylthio]-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[[8-amino-2-[(2-bromophenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Traditional Name: 2-[[8-amino-2-[(2-bromobenzyl)thio]-7H-purin-6-yl]amino]propan-1-ol Formula: C15H17BrN6OS MolecularWeight: 409.30408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=CC=CC=C3Br

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=CC=CC=C3Br

InChI

InChI=1S/C15H17BrN6OS/c1-8(6-23)18-12-11-13(20-14(17)19-11)22-15(21-12)24-7-9-4-2-3-5-10(9)16/h2-5,8,23H,6-7H2,1H3,(H4,17,18,19,20,21,22)