N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-3-25(18-11-7-8-16(2)14-18)21-19(26(27)28)20(23-15-24-21)22-13-12-17-9-5-4-6-10-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,22,23,24)