2-[(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-[[(2R)-2-phenylpropyl]amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-4-8-16-11-17(23)22-19(21-16)25-14(3)18(24)20-12-13(2)15-9-6-5-7-10-15/h5-7,9-11,13-14H,4,8,12H2,1-3H3,(H,20,24)(H,21,22,23)/p-1/t13-,14+/m0/s1