2-[2-[[4-azanyl-6-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol

Systemtic Name: 2-[2-[[4-azanyl-6-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(4-chloroanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(4-chloroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C14H17ClN6O4 MolecularWeight: 368.77558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)Cl

InChI

InChI=1S/C14H17ClN6O4/c15-9-1-3-10(4-2-9)18-13-11(21(23)24)12(16)19-14(20-13)17-5-7-25-8-6-22/h1-4,22H,5-8H2,(H4,16,17,18,19,20)