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

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N2-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N2-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazinyl)-N2-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-2-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazino)-5-nitro-pyrimidin-2-yl]-(4-methoxyphenyl)amine Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O3/c1-3-22-8-10-23(11-9-22)16-14(24(25)26)15(18)20-17(21-16)19-12-4-6-13(27-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H3,18,19,20,21)