N-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]ethanamide

Systemtic Name: N-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]ethanamide Openeye Name: N-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]acetamide CAS Name: N-[3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propyl]acetamide IUPAC Name: N-[3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propyl]acetamide Traditional Name: N-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]acetamide Formula: C15H17ClN6O3 MolecularWeight: 364.78688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-10(23)17-7-2-8-18-14-13(22(24)25)9-19-15(21-14)20-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,17,23)(H2,18,19,20,21)