N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(7H-purin-6-ylamino)propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(7H-purin-6-ylamino)propionamide Formula: C15H24N7O+ MolecularWeight: 318.39736

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCNC2=NC=NC3=C2NC=N3

InChI

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