N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-morpholin-4-ylethyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O4/c29-28(30)20-21(23-10-11-27-12-14-31-15-13-27)24-16-25-22(20)26-17-6-8-19(9-7-17)32-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H2,23,24,25,26)