2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H24N3O4S- MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-3-5-10-27-19(26)14-8-6-9-16(11-14)21-18(25)13-28-20-22-15(7-4-2)12-17(24)23-20/h6,8-9,11-12H,3-5,7,10,13H2,1-2H3,(H,21,25)(H,22,23,24)/p-1