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

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

CCC(C)C(NC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)O

Isomeric SMILES

CCC(C)C(NC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)O

InChI

InChI=1S/C19H25N5O3/c1-3-13(2)19(25)22-17-16(24(26)27)18(21-12-20-17)23-10-8-14-6-4-5-7-15(14)9-11-23/h4-7,12-13,19,25H,3,8-11H2,1-2H3,(H,20,21,22)