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

Systemtic Name: 2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-4-8-25-17(24)13-6-5-7-14(10-13)20-16(23)11-26-18-19-12(2)9-15(22)21-18/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,20,23)(H,19,21,22)/p-1