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

Systemtic Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-N4-ethyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-N4-ethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-(2-diethylaminoethyl)-N4-ethyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(2-diethylaminoethyl)-4-N-ethyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-diethylaminoethyl)-ethyl-amine Formula: C18H25ClN6O2 MolecularWeight: 392.8831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN6O2/c1-4-23(5-2)11-12-24(6-3)17-16(25(26)27)13-20-18(22-17)21-15-9-7-14(19)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,22)