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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O4/c1-3-4-18-38-21-26(35)20-32-14-16-33(17-15-32)29-27(19-23-10-12-25(13-11-23)34(36)37)22(2)30-28(31-29)24-8-6-5-7-9-24/h5-13,26,35H,3-4,14-21H2,1-2H3