8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C17H14BrN5O2S MolecularWeight: 432.29436

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br

InChI

InChI=1S/C17H14BrN5O2S/c1-2-3-4-5-23-16-14(15(19)20-8-21-16)22-17(23)26-13-7-12-11(6-10(13)18)24-9-25-12/h1,6-8H,3-5,9H2,(H2,19,20,21)