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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)[NH2+]CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

C[C@H](CO)[NH2+]CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H19N5O3/c1-8(6-18)13-4-5-17-7-14-10-9(17)11(19)16(3)12(20)15(10)2/h7-8,13,18H,4-6H2,1-3H3/p+1/t8-/m1/s1