4-azanyl-1-[3,4,5-tris(oxidanyl)thian-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[3,4,5-tris(oxidanyl)thian-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)pyrimidin-2-one CAS Name: 4-amino-1-(3,4,5-trihydroxy-2-thianyl)-2-pyrimidinone IUPAC Name: 4-amino-1-(3,4,5-trihydroxythian-2-yl)pyrimidin-2-one Traditional Name: 4-amino-1-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)pyrimidin-2-one Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)N2C=CC(=NC2=O)N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)N2C=CC(=NC2=O)N)O)O)O

InChI

InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(13)3-17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)