2-[[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purin-8-yl]amino]ethylazanium

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purin-8-yl]amino]ethylazanium Openeye Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-2,6-dioxo-purin-8-yl]amino]ethylammonium CAS Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxo-8-purinyl]amino]ethylammonium IUPAC Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-2,6-dioxopurin-8-yl]amino]ethylazanium Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-phenoxy-propyl]-2,6-diketo-3-methyl-purin-8-yl]amino]ethylammonium Formula: C17H23N6O4+ MolecularWeight: 375.40232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C17H22N6O4/c1-22-14-13(15(25)21-17(22)26)23(16(20-14)19-8-7-18)9-11(24)10-27-12-5-3-2-4-6-12/h2-6,11,24H,7-10,18H2,1H3,(H,19,20)(H,21,25,26)/p+1/t11-/m1/s1