N-[(2S)-butan-2-yl]-2-[4-(7H-purin-6-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(7H-purin-6-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-(7H-purin-6-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(7H-purin-6-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(7H-purin-6-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-(7H-purin-6-yl)piperazin-1-ium-1-yl]acetamide Formula: C15H24N7O+ MolecularWeight: 318.39736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2NC=N3

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H23N7O/c1-3-11(2)20-12(23)8-21-4-6-22(7-5-21)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,20,23)(H,16,17,18,19)/p+1/t11-/m0/s1