6-[bis[(2-azanyl-7H-purin-6-yl)sulfanyl]bismuthanylsulfanyl]-7H-purin-2-amine hydrate

Systemtic Name: 6-[bis[(2-azanyl-7H-purin-6-yl)sulfanyl]bismuthanylsulfanyl]-7H-purin-2-amine hydrate Openeye Name: 6-[bis[(2-amino-7H-purin-6-yl)sulfanyl]bismuthanylsulfanyl]-7H-purin-2-amine hydrate CAS Name: 6-[bis[(2-amino-7H-purin-6-yl)thio]bismuthinothio]-7H-purin-2-amine hydrate IUPAC Name: 6-[bis[(2-amino-7H-purin-6-yl)sulfanyl]bismuthanylsulfanyl]-7H-purin-2-amine hydrate Traditional Name: [6-[bis[(2-amino-7H-purin-6-yl)thio]bismuthinothio]-7H-purin-2-yl]amine hydrate Formula: C15H14BiN15OS3 MolecularWeight: 725.54694

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)N)S[Bi](SC3=NC(=NC4=C3NC=N4)N)SC5=NC(=NC6=C5NC=N6)N.O

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)N)S[Bi](SC3=NC(=NC4=C3NC=N4)N)SC5=NC(=NC6=C5NC=N6)N.O

InChI

InChI=1S/3C5H5N5S.Bi.H2O/c3*6-5-9-3-2(4(11)10-5)7-1-8-3;;/h3*1H,(H4,6,7,8,9,10,11);;1H2/q;;;+3;/p-3