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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)[O-]

InChI

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