[3,4,6-tris(oxidanyl)-5-pyrimidin-1-ium-1-yl-oxan-2-yl]methyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: [3,4,6-tris(oxidanyl)-5-pyrimidin-1-ium-1-yl-oxan-2-yl]methyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: (3,4,6-trihydroxy-5-pyrimidin-1-ium-1-yl-tetrahydropyran-2-yl)methyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid [3,4,6-trihydroxy-5-(1-pyrimidin-1-iumyl)-2-oxanyl]methyl ester IUPAC Name: (3,4,6-trihydroxy-5-pyrimidin-1-ium-1-yloxan-2-yl)methyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid (3,4,6-trihydroxy-5-pyrimidin-1-ium-1-yl-tetrahydropyran-2-yl)methyl ester Formula: C17H20N3O7+ MolecularWeight: 378.3566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C[N+](=C1)C2C(C(C(OC2O)COC(=O)C3=C(C=CC(=C3)N)O)O)O

Isomeric SMILES

C1=CN=C[N+](=C1)C2C(C(C(OC2O)COC(=O)C3=C(C=CC(=C3)N)O)O)O

InChI

InChI=1S/C17H19N3O7/c18-9-2-3-11(21)10(6-9)16(24)26-7-12-14(22)15(23)13(17(25)27-12)20-5-1-4-19-8-20/h1-6,8,12-15,17,22-23,25H,7,18H2/p+1