copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate

Systemtic Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate Openeye Name: cuprous (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-1-ium-2-ylhydrazino)methylene]pyridin-3-one sulfate CAS Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-1-iumylhydrazo)methylidene]-3-pyridinone; sulfate IUPAC Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate Traditional Name: cuprous (4Z)-2-methyl-5-methylol-4-[(N'-pyrimidin-1-ium-2-ylhydrazino)methylene]pyridin-3-one sulfate Formula: C12H14CuN5O6S MolecularWeight: 419.88046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC2=NC=CC=[NH+]2)C1=O)CO.[O-]S(=O)(=O)[O-].[Cu+]

Isomeric SMILES

CC1=NC=C(/C(=C/NNC2=NC=CC=[NH+]2)/C1=O)CO.[O-]S(=O)(=O)[O-].[Cu+]

InChI

InChI=1S/C12H13N5O2.Cu.H2O4S/c1-8-11(19)10(9(7-18)5-15-8)6-16-17-12-13-3-2-4-14-12;;1-5(2,3)4/h2-6,16,18H,7H2,1H3,(H,13,14,17);;(H2,1,2,3,4)/q;+1;/p-1/b10-6-;;