2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(3-methoxy-3-oxo-propyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-methoxy-3-oxopropyl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(3-methoxy-3-oxopropyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]-6-propyl-pyrimidin-4-olate Formula: C11H15N2O3S- MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC(=O)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCC(=O)OC)[O-]

InChI

InChI=1S/C11H16N2O3S/c1-3-4-8-7-9(14)13-11(12-8)17-6-5-10(15)16-2/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1