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dimethyl 3-[(4-azanylpyrimidin-1-ium-1-yl)methoxy]pentanedioate

dimethyl 3-[(4-azanylpyrimidin-1-ium-1-yl)methoxy]pentanedioate

Systemtic Name:dimethyl 3-[(4-azanylpyrimidin-1-ium-1-yl)methoxy]pentanedioate
Openeye Name:dimethyl 3-[(4-aminopyrimidin-1-ium-1-yl)methoxy]pentanedioate
CAS Name:3-[(4-amino-1-pyrimidin-1-iumyl)methoxy]pentanedioic acid dimethyl ester
IUPAC Name:dimethyl 3-[(4-aminopyrimidin-1-ium-1-yl)methoxy]pentanedioate
Traditional Name:3-[(4-aminopyrimidin-1-ium-1-yl)methoxy]glutaric acid dimethyl ester
Formula: C12H18N3O5+
MolecularWeight: 284.28842
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)OC[N+]1=CN=C(C=C1)N


Isomeric SMILES

COC(=O)CC(CC(=O)OC)OC[N+]1=CN=C(C=C1)N


InChI

InChI=1S/C12H17N3O5/c1-18-11(16)5-9(6-12(17)19-2)20-8-15-4-3-10(13)14-7-15/h3-4,7,9,13H,5-6,8H2,1-2H3/p+1


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