6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C24H23N4O3S- MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H24N4O3S/c1-31-19-6-4-5-16(11-19)15-32-24-27-18(13-23(30)28-24)12-22(29)25-10-9-17-14-26-21-8-3-2-7-20(17)21/h2-8,11,13-14,26H,9-10,12,15H2,1H3,(H,25,29)(H,27,28,30)/p-1