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

Systemtic Name: 4-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]butan-1-ol Openeye Name: 4-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]butan-1-ol CAS Name: 4-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]-1-butanol IUPAC Name: 4-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]butan-1-ol Traditional Name: 4-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]butan-1-ol Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-14-21-18(20-10-4-5-13-25)17(24(26)27)19(22-14)23-11-8-15-6-2-3-7-16(15)9-12-23/h2-3,6-7,25H,4-5,8-13H2,1H3,(H,20,21,22)