(2R)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(2-chloro-7H-purin-6-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C17H19ClN7OS+ MolecularWeight: 404.89706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)SC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)SC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H18ClN7OS/c1-11(27-15-13-14(21-10-20-13)22-17(18)23-15)16(26)25-8-6-24(7-9-25)12-4-2-3-5-19-12/h2-5,10-11H,6-9H2,1H3,(H,20,21,22,23)/p+1/t11-/m1/s1