4-(3,5-dimethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C

InChI

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