2-[[4-azanyl-6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-azanyl-6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-(3-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(=C1)Cl)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO

InChI

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