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

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propan-1-ol Formula: C13H14ClN5O3 MolecularWeight: 323.73496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5O3/c14-9-2-4-10(5-3-9)17-13-16-8-11(19(21)22)12(18-13)15-6-1-7-20/h2-5,8,20H,1,6-7H2,(H2,15,16,17,18)