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

Systemtic Name: N-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C14H15ClN6O3 MolecularWeight: 350.7603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN6O3/c1-9(22)16-6-7-17-13-12(21(23)24)8-18-14(20-13)19-11-4-2-10(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,22)(H2,17,18,19,20)