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

Systemtic Name: N2-(4-chlorophenyl)-N4-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(2-morpholinoethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O3/c17-12-1-3-13(4-2-12)20-16-19-11-14(23(24)25)15(21-16)18-5-6-22-7-9-26-10-8-22/h1-4,11H,5-10H2,(H2,18,19,20,21)