5-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-2-thiophen-2-yl-pentanoic acid

Systemtic Name: 5-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-2-thiophen-2-yl-pentanoic acid Openeye Name: 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-(2-thienyl)pentanoic acid CAS Name: 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-thiophen-2-ylpentanoic acid IUPAC Name: 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-thiophen-2-ylpentanoic acid Traditional Name: 5-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)-2-(2-thienyl)valeric acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CCCC2=C(N=C(NC2=O)N)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(CCCC2=C(N=C(NC2=O)N)O)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c14-13-15-10(17)8(11(18)16-13)4-1-3-7(12(19)20)9-5-2-6-21-9/h2,5-7H,1,3-4H2,(H,19,20)(H4,14,15,16,17,18)