6-(4-ethylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-2-26-12-14-27(15-13-26)22-20(28(29)30)21(23-16-24-22)25-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25)