[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(oxan-2-yloxy)-3-oxidanyl-3-pyridin-1-ium-1-yl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(oxan-2-yloxy)-3-oxidanyl-3-pyridin-1-ium-1-yl-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-3-pyridin-1-ium-1-yl-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-4-(2-oxanyloxy)-3-(1-pyridin-1-iumyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-(oxan-2-yloxy)-3-pyridin-1-ium-1-yloxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-3-pyridin-1-ium-1-yl-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H26N3O8+ MolecularWeight: 448.44644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC3CCCCO3)([N+]4=CC=CC=C4)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC3CCCCO3)([N+]4=CC=CC=C4)O

InChI

InChI=1S/C21H25N3O8/c1-14(25)30-13-15-21(28,23-9-4-2-5-10-23)18(32-17-7-3-6-12-29-17)19(31-15)24-11-8-16(26)22-20(24)27/h2,4-5,8-11,15,17-19,28H,3,6-7,12-13H2,1H3/p+1