2-(2-benzamido-2-oxidanylidene-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(2-benzamido-2-oxidanylidene-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-benzamido-2-oxo-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[(2-benzamido-2-oxoethyl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-benzamido-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-benzamido-2-keto-ethyl)thio]-6-propyl-pyrimidin-4-olate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-2-6-12-9-13(20)19-16(17-12)23-10-14(21)18-15(22)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,19,20)(H,18,21,22)/p-1