2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H14N3O3S- MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-15-9-14(12-5-2-1-3-6-12)19-17(20-15)24-11-16(22)18-10-13-7-4-8-23-13/h1-9H,10-11H2,(H,18,22)(H,19,20,21)/p-1