2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(2-phenylthiazol-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(2-phenyl-4-thiazolyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-phenylthiazol-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C17H16N3OS2- MolecularWeight: 342.45844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H17N3OS2/c1-2-6-13-9-15(21)20-17(19-13)23-11-14-10-22-16(18-14)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,19,20,21)/p-1