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

Systemtic Name: 2-[[2-(4-chlorophenyl)-5-nitro-pyrimidin-4-yl]amino]-N,N-dipropyl-ethanamide Openeye Name: 2-[[2-(4-chlorophenyl)-5-nitro-pyrimidin-4-yl]amino]-N,N-dipropyl-acetamide CAS Name: 2-[[2-(4-chlorophenyl)-5-nitro-4-pyrimidinyl]amino]-N,N-dipropylacetamide IUPAC Name: 2-[[2-(4-chlorophenyl)-5-nitropyrimidin-4-yl]amino]-N,N-dipropylacetamide Traditional Name: 2-[[2-(4-chlorophenyl)-5-nitro-pyrimidin-4-yl]amino]-N,N-dipropyl-acetamide Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CNC1=NC(=NC=C1[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN(CCC)C(=O)CNC1=NC(=NC=C1[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-3-9-23(10-4-2)16(25)12-21-18-15(24(26)27)11-20-17(22-18)13-5-7-14(19)8-6-13/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,21,22)