(2S)-2-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: (2S)-2-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: (2S)-2-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: (2S)-2-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]hexanoate IUPAC Name: (2S)-2-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: (2S)-2-[[5-(2,5-dimethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]hexanoate Formula: C20H25N2O3S- MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-5-6-7-17(19(24)25)26-20-21-14(4)16(18(23)22-20)11-15-10-12(2)8-9-13(15)3/h8-10,17H,5-7,11H2,1-4H3,(H,24,25)(H,21,22,23)/p-1/t17-/m0/s1