[azanyl-[4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butylsulfanyl]methylidene]azanium Openeye Name: [amino-[4-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)butylsulfanyl]methylene]ammonium CAS Name: [amino-[4-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)butylthio]methylidene]ammonium IUPAC Name: [amino-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butylsulfanyl]methylidene]azanium Traditional Name: [amino-[4-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)butylthio]methylene]ammonium Formula: C11H16BrN6O2S+ MolecularWeight: 376.25274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC(=[NH2+])N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC(=[NH2+])N

InChI

InChI=1S/C11H15BrN6O2S/c1-17-7-6(8(19)16-11(17)20)18(9(12)15-7)4-2-3-5-21-10(13)14/h2-5H2,1H3,(H3,13,14)(H,16,19,20)/p+1