2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O5S- MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-5-6-11-9-15(22)21-18(20-11)27-10-16(23)19-12-7-13(24-2)17(26-4)14(8-12)25-3/h7-9H,5-6,10H2,1-4H3,(H,19,23)(H,20,21,22)/p-1