1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-5-hexen-2-ol IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]hex-5-en-2-ol Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O3/c1-3-4-10-25(34)20-31-15-17-32(18-16-31)28-26(19-22-11-13-24(14-12-22)33(35)36)21(2)29-27(30-28)23-8-6-5-7-9-23/h3,5-9,11-14,25,34H,1,4,10,15-20H2,2H3