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

Systemtic Name: 1-butoxy-3-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol Openeye Name: 1-butoxy-3-[4-[6-ethyl-2-methyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol CAS Name: 1-butoxy-3-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-butoxy-3-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol Traditional Name: 1-butoxy-3-[4-[6-ethyl-2-methyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]propan-2-ol Formula: C26H40N4O2 MolecularWeight: 440.6214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)CC)C)O

Isomeric SMILES

CCCCOCC(CN1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)CC)C)O

InChI

InChI=1S/C26H40N4O2/c1-5-7-15-32-19-23(31)18-29-11-13-30(14-12-29)26-24(25(6-2)27-21(4)28-26)17-22-10-8-9-20(3)16-22/h8-10,16,23,31H,5-7,11-15,17-19H2,1-4H3