2-[[5-bromanyl-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]butan-1-ol

Systemtic Name: 2-[[5-bromanyl-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]butan-1-ol Openeye Name: 2-[[5-bromo-2-(3-nitroanilino)pyrimidin-4-yl]amino]butan-1-ol CAS Name: 2-[[5-bromo-2-(3-nitroanilino)-4-pyrimidinyl]amino]-1-butanol IUPAC Name: 2-[[5-bromo-2-(3-nitroanilino)pyrimidin-4-yl]amino]butan-1-ol Traditional Name: 2-[[5-bromo-2-(3-nitroanilino)pyrimidin-4-yl]amino]butan-1-ol Formula: C14H16BrN5O3 MolecularWeight: 382.21254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=NC=C1Br)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=NC(=NC=C1Br)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16BrN5O3/c1-2-9(8-21)17-13-12(15)7-16-14(19-13)18-10-4-3-5-11(6-10)20(22)23/h3-7,9,21H,2,8H2,1H3,(H2,16,17,18,19)