3-(4-dimethylaminophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: 3-(4-dimethylaminophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(4-dimethylaminophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(4-dimethylaminophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: 3-(4-dimethylaminophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(4-dimethylaminophenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)O)SC2=NCCC(=O)N2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=C(C(=O)O)SC2=NCCC(=O)N2

InChI

InChI=1S/C15H17N3O3S/c1-18(2)11-5-3-10(4-6-11)9-12(14(20)21)22-15-16-8-7-13(19)17-15/h3-6,9H,7-8H2,1-2H3,(H,20,21)(H,16,17,19)