4-(4-ethylphenoxy)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

InChI

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