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

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

InChI

InChI=1S/C23H23N3O2S/c1-3-18-15(2)24-23(25-22(18)28)29-14-21(27)26-19-10-6-4-8-16(19)12-13-17-9-5-7-11-20(17)26/h4-11H,3,12-14H2,1-2H3,(H,24,25,28)