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

Systemtic Name: 6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(cyclopropylamino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(cyclopropylamino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C17H18N3O3S- MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3CC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3CC3

InChI

InChI=1S/C17H19N3O3S/c1-23-14-4-2-3-11(7-14)10-24-17-19-13(9-16(22)20-17)8-15(21)18-12-5-6-12/h2-4,7,9,12H,5-6,8,10H2,1H3,(H,18,21)(H,19,20,22)/p-1