6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-7H-purine Openeye Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-7H-purine CAS Name: 6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-7H-purine Traditional Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-7H-purine Formula: C12H19N6+ MolecularWeight: 247.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=NC=NC3=C2NC=N3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H18N6/c1-3-9-6-18(5-4-17(9)2)12-10-11(14-7-13-10)15-8-16-12/h7-9H,3-6H2,1-2H3,(H,13,14,15,16)/p+1/t9-/m0/s1