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

Systemtic Name: N-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butyl]ethanamide Openeye Name: N-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]acetamide CAS Name: N-[4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]butyl]acetamide IUPAC Name: N-[4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butyl]acetamide Traditional Name: N-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]acetamide Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H19ClN6O3/c1-11(24)18-8-2-3-9-19-15-14(23(25)26)10-20-16(22-15)21-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,18,24)(H2,19,20,21,22)