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

Systemtic Name: 2-[[4-azanyl-6-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C12H13ClN6O3 MolecularWeight: 324.72302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN6O3/c13-7-1-3-8(4-2-7)16-11-9(19(21)22)10(14)17-12(18-11)15-5-6-20/h1-4,20H,5-6H2,(H4,14,15,16,17,18)