2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol Formula: C14H16ClN5O4 MolecularWeight: 353.76094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)N(CCO)CCO)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)N(CCO)CCO)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClN5O4/c15-10-1-3-11(4-2-10)17-14-16-9-12(20(23)24)13(18-14)19(5-7-21)6-8-22/h1-4,9,21-22H,5-8H2,(H,16,17,18)