2-[2-[(3-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-ethoxycarbonylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(3-carbethoxyanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-6-13-10-15(22)21-18(20-13)26-11-16(23)19-14-8-5-7-12(9-14)17(24)25-4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,19,23)(H,20,21,22)/p-1