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

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butan-1-ol Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butan-1-ol CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-butanol IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butan-1-ol Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butan-1-ol Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O3/c15-10-3-5-11(6-4-10)18-14-17-9-12(20(22)23)13(19-14)16-7-1-2-8-21/h3-6,9,21H,1-2,7-8H2,(H2,16,17,18,19)