aziridin-1-yl-[1-(2-chloranyl-7-methyl-purin-6-yl)aziridin-1-ium-1-yl]phosphinic acid

Systemtic Name: aziridin-1-yl-[1-(2-chloranyl-7-methyl-purin-6-yl)aziridin-1-ium-1-yl]phosphinic acid Openeye Name: aziridin-1-yl-[1-(2-chloro-7-methyl-purin-6-yl)aziridin-1-ium-1-yl]phosphinic acid CAS Name: 1-aziridinyl-[1-(2-chloro-7-methyl-6-purinyl)-1-aziridin-1-iumyl]phosphinic acid IUPAC Name: aziridin-1-yl-[1-(2-chloro-7-methylpurin-6-yl)aziridin-1-ium-1-yl]phosphinic acid Traditional Name: [1-(2-chloro-7-methyl-purin-6-yl)ethylenimin-1-ium-1-yl]-ethylenimino-phosphinic acid Formula: C10H13ClN6O2P+ MolecularWeight: 315.675981

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=NC(=N2)Cl)[N+]3(CC3)P(=O)(N4CC4)O

Isomeric SMILES

CN1C=NC2=C1C(=NC(=N2)Cl)[N+]3(CC3)P(=O)(N4CC4)O

InChI

InChI=1S/C10H12ClN6O2P/c1-15-6-12-8-7(15)9(14-10(11)13-8)17(4-5-17)20(18,19)16-2-3-16/h6H,2-5H2,1H3/p+1