(2R)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: (2R)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: (2R)-2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: (2R)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoate IUPAC Name: (2R)-2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: (2R)-2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]hexanoate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-3-4-10-15(17(22)23)24-18-19-12(2)14(16(21)20-18)11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-11H2,1-2H3,(H,22,23)(H,19,20,21)/p-1/t15-/m1/s1