N4-(3,4-dimethylphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N6O2/c1-13-8-9-16(12-14(13)2)23-19-17(26(27)28)18(21)24-20(25-19)22-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H4,21,22,23,24,25)