4-(3,5-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-4-21-5-7-22(8-6-21)17-16(23(24)25)18(20-12-19-17)26-15-10-13(2)9-14(3)11-15/h9-12H,4-8H2,1-3H3