N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(2-diethylaminoethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl-diethyl-amine Formula: C16H21ClN6O2 MolecularWeight: 364.82994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN6O2/c1-3-22(4-2)10-9-18-15-14(23(24)25)11-19-16(21-15)20-13-7-5-12(17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)