2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-(3-pyridinylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(3-pyridylamino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C19H17N4O3S- MolecularWeight: 381.42828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-26-16-6-2-4-13(8-16)12-27-19-22-15(10-18(25)23-19)9-17(24)21-14-5-3-7-20-11-14/h2-8,10-11H,9,12H2,1H3,(H,21,24)(H,22,23,25)/p-1