N4-(2,3-dimethylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dimethylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dimethylphenyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dimethylphenyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N6O3/c1-13-4-3-5-15(14(13)2)22-18-16(24(25)26)17(20-12-21-18)19-6-7-23-8-10-27-11-9-23/h3-5,12H,6-11H2,1-2H3,(H2,19,20,21,22)