N-[4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O3/c1-3-23-8-10-24(11-9-23)18-16(25(27)28)17(19-12-20-18)22-15-6-4-14(5-7-15)21-13(2)26/h4-7,12H,3,8-11H2,1-2H3,(H,21,26)(H,19,20,22)