2-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-(2,4-difluoroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-2-[[2-(2,4-difluoroanilino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C17H16F2N3O3S- MolecularWeight: 380.389046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=C(C=C3)F)F)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=C(C=C3)F)F)[O-]

InChI

InChI=1S/C17H17F2N3O3S/c18-10-5-6-13(12(19)7-10)20-15(24)9-26-17-21-14(23)8-16(25)22(17)11-3-1-2-4-11/h5-8,11,25H,1-4,9H2,(H,20,24)/p-1