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

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=CC(=O)N4)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=CC(=O)N4)O

InChI

InChI=1S/C20H17N3O3S/c24-17-11-18(25)22-20(21-17)27-12-19(26)23-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)23/h1-8,11H,9-10,12H2,(H2,21,22,24,25)