1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-(2-methylpropoxy)propan-2-ol

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-(2-methylpropoxy)propan-2-ol Openeye Name: 1-isobutoxy-3-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-(2-methylpropoxy)-2-propanol IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-(2-methylpropoxy)propan-2-ol Traditional Name: 1-isobutoxy-3-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-2-ol Formula: C29H37N5O4 MolecularWeight: 519.63518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC(C)C)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC(C)C)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H37N5O4/c1-21(2)19-38-20-26(35)18-32-13-15-33(16-14-32)29-27(17-23-9-11-25(12-10-23)34(36)37)22(3)30-28(31-29)24-7-5-4-6-8-24/h4-12,21,26,35H,13-20H2,1-3H3