2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-(2-hydroxyethyl)-methyl-azanium Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl-(2-hydroxyethyl)-methyl-ammonium CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl-(2-hydroxyethyl)-methylammonium IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl-(2-hydroxyethyl)-methylazanium Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl-(2-hydroxyethyl)-methyl-ammonium Formula: C12H20N5O3+ MolecularWeight: 282.3189

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC[NH+](C)CCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC[NH+](C)CCO

InChI

InChI=1S/C12H19N5O3/c1-14(6-7-18)4-5-17-11(19)9-10(13-8-15(9)2)16(3)12(17)20/h8,18H,4-7H2,1-3H3/p+1