2-azanyl-4-pyrimidin-2-ylsulfanyl-pentanedioic acid

Systemtic Name: 2-azanyl-4-pyrimidin-2-ylsulfanyl-pentanedioic acid Openeye Name: 2-amino-4-pyrimidin-2-ylsulfanyl-pentanedioic acid CAS Name: 2-amino-4-(2-pyrimidinylthio)pentanedioic acid IUPAC Name: 2-amino-4-pyrimidin-2-ylsulfanylpentanedioic acid Traditional Name: 2-amino-4-(2-pyrimidylthio)glutaric acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SC(CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11N3O4S/c10-5(7(13)14)4-6(8(15)16)17-9-11-2-1-3-12-9/h1-3,5-6H,4,10H2,(H,13,14)(H,15,16)