4-(4-ethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-ethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-ethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N6O3/c1-2-16-6-8-17(9-7-16)30-21-19(27(28)29)20(23-15-24-21)26-13-11-25(12-14-26)18-5-3-4-10-22-18/h3-10,15H,2,11-14H2,1H3