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

Systemtic Name: 6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H26N3O3S- MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCCC3=CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H27N3O3S/c1-28-19-9-5-8-17(12-19)15-29-22-24-18(14-21(27)25-22)13-20(26)23-11-10-16-6-3-2-4-7-16/h5-6,8-9,12,14H,2-4,7,10-11,13,15H2,1H3,(H,23,26)(H,24,25,27)/p-1