1-azanyl-3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propan-2-ol

Systemtic Name: 1-azanyl-3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propan-2-ol Openeye Name: 1-amino-3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propan-2-ol CAS Name: 1-amino-3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-2-propanol IUPAC Name: 1-amino-3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propan-2-ol Traditional Name: 1-amino-3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propan-2-ol Formula: C13H15ClN6O3 MolecularWeight: 338.7496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN6O3/c14-8-1-3-9(4-2-8)18-13-17-7-11(20(22)23)12(19-13)16-6-10(21)5-15/h1-4,7,10,21H,5-6,15H2,(H2,16,17,18,19)