2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanamine

Systemtic Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanamine Openeye Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanamine CAS Name: 2-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]oxy]ethanamine IUPAC Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanamine Traditional Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethylamine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCN)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCN)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C17H21N5O3/c1-12-19-16(15(22(23)24)17(20-12)25-11-8-18)21-9-6-13-4-2-3-5-14(13)7-10-21/h2-5H,6-11,18H2,1H3