2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N[C@H](C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H21N3O2S/c1-3-7-14-10-15(21)20-17(19-14)23-11-16(22)18-12(2)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,18,22)(H,19,20,21)/p-1/t12-/m1/s1