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

Systemtic Name: 1-butoxy-3-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol Openeye Name: 1-butoxy-3-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol CAS Name: 1-butoxy-3-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-butoxy-3-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol Traditional Name: 1-butoxy-3-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]propan-2-ol Formula: C24H35N5O4 MolecularWeight: 457.5658

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O4/c1-4-5-14-33-17-22(30)16-27-10-12-28(13-11-27)24-23(18(2)25-19(3)26-24)15-20-6-8-21(9-7-20)29(31)32/h6-9,22,30H,4-5,10-17H2,1-3H3