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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O3/c1-16(2)17-6-8-20(9-7-17)32-23-21(29(30)31)22(25-15-26-23)28-12-10-27(11-13-28)19-5-3-4-18(24)14-19/h3-9,14-16H,10-13H2,1-2H3