2-methylpropyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O4/c1-18(2)16-35-25(32)19-8-10-20(11-9-19)28-23-22(31(33)34)24(27-17-26-23)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-11,17-18H,12-16H2,1-2H3,(H,26,27,28)