4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C20H19ClN6O3 MolecularWeight: 426.85626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN6O3/c1-14-12-15(5-6-16(14)21)30-20-18(27(28)29)19(23-13-24-20)26-10-8-25(9-11-26)17-4-2-3-7-22-17/h2-7,12-13H,8-11H2,1H3