3-chloranyl-2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-chloranyl-2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C27H30ClN5O3 MolecularWeight: 508.0118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN5O3/c1-19-23(17-20-9-11-22(12-10-20)33(35)36)25(30-24(29-19)21-7-5-4-6-8-21)31-13-15-32(16-14-31)26(34)27(2,3)18-28/h4-12H,13-18H2,1-3H3