2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(2-thenylamino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-25-15-5-2-4-13(8-15)12-27-19-21-14(10-18(24)22-19)9-17(23)20-11-16-6-3-7-26-16/h2-8,10H,9,11-12H2,1H3,(H,20,23)(H,21,22,24)/p-1