sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide

C69H98N11NaO21 — CID 161338371

IUPACsodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OCCOC)[C@@H]1C.COCCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[Na+].[OH-]
InChIInChI=1S/C21H27N3O5.C20H25N3O6.C14H23N3O4.C14H22N2O5.Na.H2O/c1-4-16-14(2)18(28-13-12-27-3)20(29-16)24-11-10-17(23-21(24)26)22-19(25)15-8-6-5-7-9-15;1-13-15(12-24)29-19(17(13)28-11-10-27-2)23-9-8-16(22-20(23)26)21-18(25)14-6-4-3-5-7-14;1-4-10-9(2)12(20-8-7-19-3)13(21-10)17-6-5-11(15)16-14(17)18;1-4-10-9(2)12(20-8-7-19-3)13(21-10)16-6-5-11(17)15-14(16)18;;/h5-11,14,16,18,20H,4,12-13H2,1-3H3,(H,22,23,25,26);3-9,13,15,17,19,24H,10-12H2,1-2H3,(H,21,22,25,26);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H2,15,16,18);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H,15,17,18);;1H2/q;;;;+1;/p-1/t14-,16-,18-,20-;13-,15-,17-,19-;2*9-,10-,12-,13-;;/m1111../s1
InChIKeyVMIMWZKADQPDTK-GBTSPHQDSA-M
MW1440.59 g/mol
LogP1.66
Rot. Bonds28

About sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide

sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide (PubChem CID 161338371) has the molecular formula C69H98N11NaO21 and a molecular weight of 1440.59 g/mol. Its IUPAC name is sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide.

Molecular Properties

Compound Namesodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide
PubChem CID161338371
Molecular FormulaC69H98N11NaO21
Molecular Weight1440.59 g/mol
Exact Mass1439.68
IUPAC Namesodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OCCOC)[C@@H]1C.COCCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[Na+].[OH-]
InChIInChI=1S/C21H27N3O5.C20H25N3O6.C14H23N3O4.C14H22N2O5.Na.H2O/c1-4-16-14(2)18(28-13-12-27-3)20(29-16)24-11-10-17(23-21(24)26)22-19(25)15-8-6-5-7-9-15;1-13-15(12-24)29-19(17(13)28-11-10-27-2)23-9-8-16(22-20(23)26)21-18(25)14-6-4-3-5-7-14;1-4-10-9(2)12(20-8-7-19-3)13(21-10)17-6-5-11(15)16-14(17)18;1-4-10-9(2)12(20-8-7-19-3)13(21-10)16-6-5-11(17)15-14(16)18;;/h5-11,14,16,18,20H,4,12-13H2,1-3H3,(H,22,23,25,26);3-9,13,15,17,19,24H,10-12H2,1-2H3,(H,21,22,25,26);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H2,15,16,18);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H,15,17,18);;1H2/q;;;;+1;/p-1/t14-,16-,18-,20-;13-,15-,17-,19-;2*9-,10-,12-,13-;;/m1111../s1
InChIKeyVMIMWZKADQPDTK-GBTSPHQDSA-M
XLogP1.66
TPSA404.74 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001440.59
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide with MolForge

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Related Compounds

[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 159027330
N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030937
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 167602474
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-propoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 22874774
4-amino-1-[(2R,4R,5R)-5-ethyl-4-hydroxy-3-(2-methoxyethoxy)thiolan-2-yl]pyrimidin-2-one;N-[1-[(2R,4R,5R)-5-ethyl-4-hydroxy-3-(2-methoxyethoxy)thiolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 91255075
4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel
CID 158358635
N-[1-[(1S,2S,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 101017194
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
1-[(2R,3R,4R,5S)-4-amino-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 168819412
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070
N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030936

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide?
The IUPAC name of sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide (CID 161338371) is sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide.
What is the SMILES notation for sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide?
The canonical SMILES for sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](OCCOC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OCCOC)[C@@H]1C.COCCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[Na+].[OH-].
What is the InChIKey of sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide?
The InChIKey is VMIMWZKADQPDTK-GBTSPHQDSA-M. The full InChI is InChI=1S/C21H27N3O5.C20H25N3O6.C14H23N3O4.C14H22N2O5.Na.H2O/c1-4-16-14(2)18(28-13-12-27-3)20(29-16)24-11-10-17(23-21(24)26)22-19(25)15-8-6-5-7-9-15;1-13-15(12-24)29-19(17(13)28-11-10-27-2)23-9-8-16(22-20(23)26)21-18(25)14-6-4-3-5-7-14;1-4-10-9(2)12(20-8-7-19-3)13(21-10)17-6-5-11(15)16-14(17)18;1-4-10-9(2)12(20-8-7-19-3)13(21-10)16-6-5-11(17)15-14(16)18;;/h5-11,14,16,18,20H,4,12-13H2,1-3H3,(H,22,23,25,26);3-9,13,15,17,19,24H,10-12H2,1-2H3,(H,21,22,25,26);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H2,15,16,18);5-6,9-10,12-13H,4,7-8H2,1-3H3,(H,15,17,18);;1H2/q;;;;+1;/p-1/t14-,16-,18-,20-;13-,15-,17-,19-;2*9-,10-,12-,13-;;/m1111../s1.
What are the key properties of sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide?
sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide has a molecular weight of 1440.59 g/mol, XLogP of 1.66, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide is sourced from PubChem (CID 161338371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).