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

Systemtic Name: N4-(2,3-dimethylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dimethylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dimethylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O2/c1-14-7-6-10-17(15(14)2)24-20-18(25(26)27)19(22-13-23-20)21-12-11-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H2,21,22,23,24)