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

Systemtic Name: 2-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H24N3O4S- MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-3-4-5-6-11-27-19(26)15-7-9-16(10-8-15)22-18(25)13-28-20-21-14(2)12-17(24)23-20/h7-10,12H,3-6,11,13H2,1-2H3,(H,22,25)(H,21,23,24)/p-1