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

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-2-ol Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-2-ol CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-hexanol IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]hexan-2-ol Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]hexan-2-ol Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4)O

Isomeric SMILES

CCCCC(CN1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4)O

InChI

InChI=1S/C28H35N5O3/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/h5-9,11-14,25,34H,3-4,10,15-20H2,1-2H3