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

Systemtic Name: 2-[[6-azanyl-2-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-(3-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(3-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C12H13ClN6O3 MolecularWeight: 324.72302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

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