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

Systemtic Name: 4-(3,4-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(3,4-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,4-dimethylphenoxy)-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(3,4-dimethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,4-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(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-4-21-7-9-22(10-8-21)17-16(23(24)25)18(20-12-19-17)26-15-6-5-13(2)14(3)11-15/h5-6,11-12H,4,7-10H2,1-3H3