4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl hydrogen sulfate

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl hydrogen sulfate Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl hydrogen sulfate CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; sulfuric acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl hydrogen sulfate Traditional Name: 2-methyl-4,5-dimethylol-pyridin-3-ol; sulfuric acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C17H23N5O9S MolecularWeight: 473.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOS(=O)(=O)O

InChI

InChI=1S/C9H12N4O6S.C8H11NO3/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h5H,3-4H2,1-2H3,(H,16,17,18);2,10-12H,3-4H2,1H3