2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-oxo-2-(2-thiazolylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(thiazol-2-ylamino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C17H15N4O3S2- MolecularWeight: 387.456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=NC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H16N4O3S2/c1-24-13-4-2-3-11(7-13)10-26-17-19-12(9-15(23)21-17)8-14(22)20-16-18-5-6-25-16/h2-7,9H,8,10H2,1H3,(H,18,20,22)(H,19,21,23)/p-1