2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H18N3O3S- MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O3S/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/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,18,22)(H,19,20,21)/p-1/t13-/m1/s1