4-(4-tert-butylpyridin-1-ium-1-yl)-5-oxidanyl-1-(pyrimidin-2-ylamino)pyrrole-2,3-dione

Systemtic Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-oxidanyl-1-(pyrimidin-2-ylamino)pyrrole-2,3-dione Openeye Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-hydroxy-1-(pyrimidin-2-ylamino)pyrrole-2,3-dione CAS Name: 4-(4-tert-butyl-1-pyridin-1-iumyl)-5-hydroxy-1-(2-pyrimidinylamino)pyrrole-2,3-dione IUPAC Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-hydroxy-1-(pyrimidin-2-ylamino)pyrrole-2,3-dione Traditional Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-hydroxy-1-(2-pyrimidylamino)-2-pyrroline-2,3-quinone Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(N(C(=O)C2=O)NC3=NC=CC=N3)O

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=C(N(C(=O)C2=O)NC3=NC=CC=N3)O

InChI

InChI=1S/C17H17N5O3/c1-17(2,3)11-5-9-21(10-6-11)12-13(23)15(25)22(14(12)24)20-16-18-7-4-8-19-16/h4-10H,1-3H3,(H-,18,19,20,23,24)/p+1