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

Systemtic Name: 2-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-carbomethoxyanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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