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

Systemtic Name: 2-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H28N3O4S- MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-3-5-6-7-13-29-21(28)16-9-11-17(12-10-16)23-20(27)15-30-22-24-18(8-4-2)14-19(26)25-22/h9-12,14H,3-8,13,15H2,1-2H3,(H,23,27)(H,24,25,26)/p-1