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

Systemtic Name: 2-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-ethoxycarbonylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-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=C2C(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OCC)[O-]

InChI

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