2-methyl-3-(2-morpholin-4-ylethyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one

Systemtic Name: 2-methyl-3-(2-morpholin-4-ylethyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 2-methyl-3-(2-morpholinoethyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 2-methyl-3-[2-(4-morpholinyl)ethyl]-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 2-methyl-3-(2-morpholin-4-ylethyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 2-methyl-3-(2-morpholinoethyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C21H27N5O4/c1-16-22-20(24-8-6-17-4-2-3-5-18(17)7-9-24)19(26(28)29)21(27)25(16)11-10-23-12-14-30-15-13-23/h2-5H,6-15H2,1H3