3-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[6-methyl-4-oxo-5-(p-tolylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[4-keto-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-2-yl]thio]propionate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCCC(=O)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-10-3-5-12(6-4-10)9-13-11(2)17-16(18-15(13)21)22-8-7-14(19)20/h3-6H,7-9H2,1-2H3,(H,19,20)(H,17,18,21)/p-1