3-pyrimidin-5-ylpentanethioic S-acid

Systemtic Name: 3-pyrimidin-5-ylpentanethioic S-acid Openeye Name: 3-pyrimidin-5-ylpentanethioic S-acid CAS Name: 3-(5-pyrimidinyl)pentanethioic S-acid IUPAC Name: 3-pyrimidin-5-ylpentanethioic S-acid Traditional Name: 3-(5-pyrimidyl)thiovaleric acid Formula: C9H12N2OS MolecularWeight: 196.26938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)S)C1=CN=CN=C1

Isomeric SMILES

CCC(CC(=O)S)C1=CN=CN=C1

InChI

InChI=1S/C9H12N2OS/c1-2-7(3-9(12)13)8-4-10-6-11-5-8/h4-7H,2-3H2,1H3,(H,12,13)