2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C21H18N3O2S- MolecularWeight: 376.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)[O-]

InChI

InChI=1S/C21H19N3O2S/c1-14-12-19(25)23-21(22-14)27-13-20(26)24-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)24/h2-9,12H,10-11,13H2,1H3,(H,22,23,25)/p-1