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

Systemtic Name: 5-nitro-4-(4-phenylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 5-nitro-4-(4-phenyl-1-piperazinyl)-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 5-nitro-4-(4-phenylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-17(2)18-8-10-20(11-9-18)31-23-21(28(29)30)22(24-16-25-23)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3