6-(4-ethylpiperazin-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazinyl)-N2-methyl-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazino)-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-3-22-9-11-23(12-10-22)16-14(24(25)26)15(18)19-17(20-16)21(2)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,18,19,20)