4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3/c1-4-22-5-7-23(8-6-22)17-16(24(25)26)18(21-11-20-17)27-14-9-12(2)15(19)13(3)10-14/h9-11H,4-8H2,1-3H3