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

Systemtic Name: 2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-pyridin-3-yl-prop-2-enoic acid Openeye Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-(3-pyridyl)prop-2-enoic acid CAS Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-(3-pyridinyl)-2-propenoic acid IUPAC Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-pyridin-3-ylprop-2-enoic acid Traditional Name: 2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-(3-pyridyl)acrylic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1=O)SC(=CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1CN=C(NC1=O)SC(=CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3S/c16-10-3-5-14-12(15-10)19-9(11(17)18)6-8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,17,18)(H,14,15,16)