6-propyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-propyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-propyl-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-propyl-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-propyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-propyl-2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]pyrimidin-4-olate Formula: C15H14N3O2S2- MolecularWeight: 332.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NOC(=C2)C3=CC=CS3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NOC(=C2)C3=CC=CS3)[O-]

InChI

InChI=1S/C15H15N3O2S2/c1-2-4-10-8-14(19)17-15(16-10)22-9-11-7-12(20-18-11)13-5-3-6-21-13/h3,5-8H,2,4,9H2,1H3,(H,16,17,19)/p-1