2-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol

Systemtic Name: 2-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol Openeye Name: 2-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol CAS Name: 2-[(2-amino-6-chloro-4-pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol IUPAC Name: 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol Traditional Name: 2-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC2=CC(=NC(=N2)N)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CNC2=CC(=NC(=N2)N)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN5O3/c13-10-5-11(17-12(14)16-10)15-6-9(19)7-1-3-8(4-2-7)18(20)21/h1-5,9,19H,6H2,(H3,14,15,16,17)