2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine

Systemtic Name: 2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine Openeye Name: 2-methyl-N-(3-morpholinopropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine CAS Name: 2-methyl-N-[3-(4-morpholinyl)propyl]-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinamine IUPAC Name: 2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine Traditional Name: [2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C22H30N6O3 MolecularWeight: 426.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NCCCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)NCCCN2CCOCC2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H30N6O3/c1-17-24-21(23-9-4-10-26-13-15-31-16-14-26)20(28(29)30)22(25-17)27-11-7-18-5-2-3-6-19(18)8-12-27/h2-3,5-6H,4,7-16H2,1H3,(H,23,24,25)