(2R)-1-[6-azanyl-8-(4-methylpiperazin-4-ium-1-yl)purin-3-yl]propan-2-ol

Systemtic Name: (2R)-1-[6-azanyl-8-(4-methylpiperazin-4-ium-1-yl)purin-3-yl]propan-2-ol Openeye Name: (2R)-1-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-3-yl]propan-2-ol CAS Name: (2R)-1-[6-amino-8-(4-methyl-1-piperazin-4-iumyl)-3-purinyl]-2-propanol IUPAC Name: (2R)-1-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-3-yl]propan-2-ol Traditional Name: (2R)-1-[6-amino-8-(4-methylpiperazin-4-ium-1-yl)purin-3-yl]propan-2-ol Formula: C13H22N7O+ MolecularWeight: 292.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC(=C2C1=NC(=N2)N3CC[NH+](CC3)C)N)O

Isomeric SMILES

C[C@H](CN1C=NC(=C2C1=NC(=N2)N3CC[NH+](CC3)C)N)O

InChI

InChI=1S/C13H21N7O/c1-9(21)7-20-8-15-11(14)10-12(20)17-13(16-10)19-5-3-18(2)4-6-19/h8-9,21H,3-7,14H2,1-2H3/p+1/t9-/m1/s1