2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCSC4=NC(=CC(=O)N4)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCSC4=NC(=CC(=O)N4)O

InChI

InChI=1S/C21H19N3O3S/c25-18-13-19(26)23-21(22-18)28-12-11-20(27)24-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)24/h1-8,13H,9-12H2,(H2,22,23,25,26)