(2S)-1-(6-azanyl-8-morpholin-4-yl-7H-purin-3-ium-3-yl)-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-(6-azanyl-8-morpholin-4-yl-7H-purin-3-ium-3-yl)-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(6-amino-8-morpholino-7H-purin-3-ium-3-yl)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[6-amino-8-(4-morpholinyl)-7H-purin-3-ium-3-yl]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(6-amino-8-morpholin-4-yl-7H-purin-3-ium-3-yl)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(6-amino-8-morpholino-7H-purin-3-ium-3-yl)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C16H27N7O3+2 MolecularWeight: 365.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C[N+]2=C3C(=C(N=C2)N)NC(=N3)N4CCOCC4)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C[N+]2=C3C(=C(N=C2)N)NC(=N3)N4CCOCC4)O

InChI

InChI=1S/C16H25N7O3/c17-14-13-15(20-16(19-13)22-3-7-26-8-4-22)23(11-18-14)10-12(24)9-21-1-5-25-6-2-21/h11-12,24H,1-10H2,(H2,17,19,20)/p+2/t12-/m0/s1