3-(pyrimidin-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-(pyrimidin-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-(pyrimidin-2-ylamino)propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoic acid 3-(2-pyrimidinylamino)propyl ester IUPAC Name: 3-(pyrimidin-2-ylamino)propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peracetic acid 3-(2-pyrimidylamino)propyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=NC=CC=N3

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=NC=CC=N3

InChI

InChI=1S/C19H22N4O4/c24-17(27-26-10-4-9-22-19-20-7-3-8-21-19)12-16-11-14-5-1-2-6-15(14)13-23-18(16)25/h1-3,5-8,16H,4,9-13H2,(H,23,25)(H,20,21,22)