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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NCCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)NCCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C21H25N7O2/c1-16-24-20(23-9-4-11-26-14-10-22-15-26)19(28(29)30)21(25-16)27-12-7-17-5-2-3-6-18(17)8-13-27/h2-3,5-6,10,14-15H,4,7-9,11-13H2,1H3,(H,23,24,25)