5-ethyl-2-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

Systemtic Name: 5-ethyl-2-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-ethyl-2-[(1-oxidopyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione CAS Name: 5-ethyl-2-[(1-oxido-4-pyridin-1-iumyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-ethyl-2-[(1-oxidopyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-ethyl-2-[(1-oxidopyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-quinone Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=O)NC(=N2)OCC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=O)NC(=N2)OCC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C15H13N3O5/c1-2-10-7-11(19)23-14-12(10)13(20)16-15(17-14)22-8-9-3-5-18(21)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,20)