2-[2-[(2-methoxy-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methoxy-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-methoxy-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methoxy-4-methylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methoxy-4-methyl-anilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C)OC)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-4-5-12-9-15(21)20-17(18-12)24-10-16(22)19-13-7-6-11(2)8-14(13)23-3/h6-9H,4-5,10H2,1-3H3,(H,19,22)(H,18,20,21)/p-1