3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propane-1,2-diol Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propane-1,2-diol CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propane-1,2-diol IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propane-1,2-diol Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propane-1,2-diol Formula: C13H14ClN5O4 MolecularWeight: 339.73436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5O4/c14-8-1-3-9(4-2-8)17-13-16-6-11(19(22)23)12(18-13)15-5-10(21)7-20/h1-4,6,10,20-21H,5,7H2,(H2,15,16,17,18)