4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]butanamide

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]butyramide Formula: C16H25ClN7O+ MolecularWeight: 366.869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H24ClN7O/c1-2-24-8-4-5-11(24)9-19-12(25)6-3-7-18-14-13-15(21-10-20-13)23-16(17)22-14/h10-11H,2-9H2,1H3,(H,19,25)(H2,18,20,21,22,23)/p+1/t11-/m0/s1