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

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H17N3O2S/c1-2-6-12-9-13(19)18-15(17-12)21-10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,16,20)(H,17,18,19)/p-1