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

Systemtic Name: 5-nitro-4-(4-propan-2-ylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 5-nitro-4-(4-propan-2-ylphenoxy)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-nitro-4-(4-propan-2-ylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3/c1-16(2)17-6-8-18(9-7-17)31-22-20(28(29)30)21(24-15-25-22)27-13-11-26(12-14-27)19-5-3-4-10-23-19/h3-10,15-16H,11-14H2,1-2H3