4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(2-methoxyphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O4/c1-30-17-7-2-3-8-18(17)31-21-19(27(28)29)20(23-14-24-21)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13-14H,9-12H2,1H3