6-methyl-2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C17H19N3O4S/c1-3-7-24-16(23)12-5-4-6-13(9-12)19-15(22)10-25-17-18-11(2)8-14(21)20-17/h4-6,8-9H,3,7,10H2,1-2H3,(H,19,22)(H,18,20,21)/p-1